CHEBI:27711 - precorrin-3B

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ChEBI Name precorrin-3B
ChEBI ID CHEBI:27711
Definition The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which three methyl groups have been introduced at positions 2, 7 and 20 of the tetrapyrrole framework and in which the carboxymethyl group at position 2 has been oxidised to form a lactone ring.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8372, CHEBI:14872, CHEBI:26222
Supplier Information
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Formula C43H50N4O17
Net Charge 0
Average Mass 894.87370
Monoisotopic Mass 894.31710
InChI InChI=1S/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11-34(54)55)29(47-43)16-30(40)45-28/h15-16,23-24,44,46-47,63H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b28-15-,29-16-/t23-,24-,40+,41+,42+,43-/m1/s1
InChIKey KJHZYYJBHKAUHS-NXWQJPGNSA-N
SMILES C[C@]1(CC(O)=O)[C@H](CCC(O)=O)C2=C/c3[nH]c(Cc4[nH]c(c(CC(O)=O)c4CCC(O)=O)[C@](C)(O)[C@@]45N/C(=C\C1=N\2)[C@@H](CCC(O)=O)[C@]4(C)CC(=O)O5)c(CCC(O)=O)c3CC(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing precorrin-3B (CHEBI:27711) is a precorrin (CHEBI:26228)
precorrin-3B (CHEBI:27711) is conjugate acid of precorrin-3B(6−) (CHEBI:77870)
precorrin-3B (CHEBI:27711) is conjugate acid of precorrin-3B(7−) (CHEBI:58522)
Incoming precorrin-3B(6−) (CHEBI:77870) is conjugate base of precorrin-3B (CHEBI:27711)
precorrin-3B(7−) (CHEBI:58522) is conjugate base of precorrin-3B (CHEBI:27711)
IUPAC Name
3,3',3'',3'''-(7S,8S,12S,13S,14R,15S)-2,7,12,18-tetrakis(2-carboxyethyl)-3,8,17-tris(carboxymethyl)-15-hydroxy-8,13,15-trimethyl-7,8,12,13,14,15,20,24-octahydroporphyrin-131,14-carbolactone
Synonym Source
Precorrin 3B KEGG COMPOUND
Manual Xref Database
C06406 KEGG COMPOUND
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Registry Number Type Source
6365776 Beilstein Registry Number Beilstein
Last Modified
09 April 2014