Record Information Version
1.0 Update Date
1/22/2018 12:54:54 PM
Metabolite ID PAMDB110718
Identification Name:
precorrin-1 Description: Not Available
Structure
Synonyms:
Chemical Formula:
C41 H38 N4 O16
Average Molecular Weight:
850.290881451 Monoisotopic Molecular
Weight:
850.290881451 InChI Key:
CJLVUWULFKHGFB-NZCAJUPMSA-F InChI:
InChI=1S/C41H46N4O16/c1-41(17-40(60)61)24(5-9-36(52)53)31-15-29-22(11-38(56)57)19(3-7-34(48)49)27(43-29)14-28-21(10-37(54)55)18(2-6-33(46)47)25(42-28)13-26-20(4-8-35(50)51)23(12-39(58)59)30(44-26)16-32(41)45-31/h16,24,42-44H,2-15,17H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8/b32-16-/t24-,41+/m1/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.
Kingdom
Organic compounds Super Class Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives Sub Class Not Available
Direct Parent
Tetrapyrroles and derivatives Alternative Parents
Substituents
Tetrapyrrole skeleton Substituted pyrrole Pyrrole Pyrroline Heteroaromatic compound Ketimine Azacycle Carboxylic acid Carboxylic acid derivative Organic oxide Organopnictogen compound Organic oxygen compound Organic nitrogen compound Organooxygen compound Organonitrogen compound Imine Carbonyl group Hydrocarbon derivative Organic anion Aromatic heteropolycyclic compound Molecular Framework
Aromatic heteropolycyclic compounds External Descriptors
Physical Properties State:
Not Available Charge: Not Available
Melting point:
Not Available Experimental Properties:
Not Available Predicted Properties
Biological Properties Cellular Locations:
Not Available Reactions:
Pathways:
adenosylcobalamin biosynthesis II (late cobalt incorporation)P381-PWY cob(II)yrinate a,c -diamide biosynthesis II (late cobalt incorporation)PWY-7376 cob(II)yrinate a,c -diamide biosynthesis I (early cobalt insertion)PWY-7377 siroheme biosynthesisPWY-5194
Spectra Spectra:
Not Available
References References:
Not Available Synthesis Reference:
Not Available Material Safety Data Sheet (MSDS)
Not Available
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
