a peptidoglycan with D,D cross-links (meso-diaminopimelate containing) (PAMDB110608)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110608
Identification
Name: a peptidoglycan with D,D cross-links (meso-diaminopimelate containing)
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C267H421N31O96P4
Average Molecular Weight: 5736.9138579184
Monoisotopic Molecular Weight: 5736.9138579184
InChI Key: DTMSLMOHTHSZJF-NBEMDSPVSA-B
InChI: InChI=1S/C267H433N31O96P4/c1-140(2)72-48-74-142(5)76-50-78-144(7)80-52-82-146(9)84-54-86-148(11)88-56-90-150(13)92-58-94-152(15)96-60-98-154(17)100-62-102-156(19)104-64-106-158(21)108-66-110-160(23)128-130-371-395(363,364)393-397(367,368)391-266-215(288-183(46)313)231(375-175(38)243(335)273-167(30)238(330)297-194(257(357)358)121-125-206(316)291-189(116-69-113-186(269)253(349)350)246(338)276-163(26)234(326)280-171(34)250(343)344)227(203(138-305)383-266)389-262-211(284-179(42)309)221(323)223(199(134-301)379-262)386-265-214(287-182(45)312)230(226(202(137-304)382-265)388-261-210(283-178(41)308)220(322)218(320)198(133-300)378-261)374-174(37)242(334)272-166(29)237(329)296-195(258(359)360)122-126-207(317)292-190(117-70-114-187(270)254(351)352)247(339)278-169(32)240(332)294-192(255(353)354)119-71-118-191(248(340)277-164(27)235(327)281-172(35)251(345)346)293-208(318)127-123-196(259(361)362)298-239(331)168(31)274-244(336)176(39)376-232-216(289-184(47)314)267(392-398(369,370)394-396(365,366)372-131-129-161(24)111-67-109-159(22)107-65-105-157(20)103-63-101-155(18)99-61-97-153(16)95-59-93-151(14)91-57-89-149(12)87-55-85-147(10)83-53-81-145(8)79-51-77-143(6)75-49-73-141(3)4)384-204(139-306)228(232)390-263-212(285-180(43)310)222(324)224(200(135-302)380-263)385-264-213(286-181(44)311)229(225(201(136-303)381-264)387-260-209(282-177(40)307)219(321)217(319)197(132-299)377-260)373-173(36)241(333)271-165(28)236(328)295-193(256(355)356)120-124-205(315)290-188(115-68-112-185(268)252(347)348)245(337)275-162(25)233(325)279-170(33)249(341)342/h72-73,76-77,80-81,84-85,88-89,92-93,96-97,100-101,104-105,108-109,128-129,162-176,185-204,209-232,260-267,299-306,319-324H,48-71,74-75,78-79,82-83,86-87,90-91,94-95,98-99,102-103,106-107,110-127,130-139,268-270H2,1-47H3,(H,271,333)(H,272,334)(H,273,335)(H,274,336)(H,275,337)(H,276,338)(H,277,340)(H,278,339)(H,279,325)(H,280,326)(H,281,327)(H,282,307)(H,283,308)(H,284,309)(H,285,310)(H,286,311)(H,287,312)(H,288,313)(H,289,314)(H,290,315)(H,291,316)(H,292,317)(H,293,318)(H,294,332)(H,295,328)(H,296,329)(H,297,330)(H,298,331)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)/p-12/b142-76+,143-77+,144-80+,145-81+,146-84-,147-85+,148-88-,149-89-,150-92-,151-93-,152-96-,153-97-,154-100-,155-101-,156-104-,157-105-,158-108-,159-109-,160-128-,161-129-/t162-,163-,164-,165+,166+,167+,168+,169-,170-,171-,172-,173-,174-,175-,176-,185-,186-,187-,188+,189+,190+,191+,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,260-,261+,262+,263+,264-,265-,266-,267-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC8(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC7(OC(CO)C(OC6(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C(=O)[O-])CCCC(C(NC(C)C(=O)NC(C)C([O-])=O)=O)NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)OP(OP(OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C)C)C)C)([O-])=O)([O-])=O))=O)C(OC5(OC(CO)C(O)C(O)C(NC(=O)C)5))C(CO)O6))C(O)C(NC(=O)C)7))C(CO)O8))([O-])=O)C)C)C)C)C)C)C
Chemical Taxonomy
Taxonomy DescriptionNot Available
Kingdom Not Available
Super ClassNot Available
Class Not Available
Sub ClassNot Available
Direct Parent Not Available
Alternative Parents Not Available
Substituents Not Available
Molecular Framework Not Available
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties Not Available
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PseudoCycCPD-12261