CHEBI:52469 - precorrin-1

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ChEBI Name precorrin-1
ChEBI ID CHEBI:52469
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000150339492
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Formula C41H46N4O16
Net Charge 0
Average Mass 850.82110
Monoisotopic Mass 850.29088
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)/b32-16-/t24-,41+/m1/s1
InChIKey CJLVUWULFKHGFB-NZCAJUPMSA-N
SMILES C[C@]1(CC(O)=O)[C@H](CCC(O)=O)C2=N/C1=C\c1[nH]c(Cc3[nH]c(Cc4[nH]c(C2)c(CC(O)=O)c4CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)c(CCC(O)=O)c1CC(O)=O
Roles Classification
Biological Role(s): 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).
(via corrinoid )
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ChEBI Ontology
Outgoing precorrin-1 (CHEBI:52469) is a precorrin (CHEBI:26228)
precorrin-1 (CHEBI:52469) is conjugate acid of precorrin-1(8−) (CHEBI:58893)
Incoming 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 1 KEGG COMPOUND
Manual Xref Database
C15527 KEGG COMPOUND
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Last Modified
29 September 2009