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CHEBI:52469 - precorrin-1

Default Structure
ChEBI IDCHEBI:52469
ChEBI Nameprecorrin-1
Stars
DefinitionThe first intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III, in which one methyl group has been introduced at position 2 of the tetrapyrrole framework.
Last Modified29 September 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC41H46N4O16
Net Charge0
Average Mass850.831
Monoisotopic Mass850.29088
SMILESC[C@@]1(CC(=O)O)/C2=C/c3nc(c(CCC(=O)O)c3CC(=O)O)Cc3nc(c(CC(=O)O)c3CCC(=O)O)Cc3nc(c(CC(=O)O)c3CCC(=O)O)CC(=N2)[C@H]1CCC(=O)O
InChIInChI=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)/b32-16-/t24-,41+/m1/s1
InChIKeyCJLVUWULFKHGFB-NZCAJUPMSA-N
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
precorrin-1 (CHEBI:52469) is a precorrin (CHEBI:26228)
precorrin-1 (CHEBI:52469) is conjugate acid of precorrin-1(8−) (CHEBI:58893)
Incoming Relation(s)
precorrin-1(8−) (CHEBI:58893) is conjugate base of precorrin-1 (CHEBI:52469)
IUPAC Name 
3,3',3'',3'''-[(12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-13-methyl-5,10,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
Synonym  Source
Precorrin 1KEGG COMPOUND
Manual XrefsDatabases
C15527KEGG COMPOUND