CHEBI:27513 - precorrin-6X

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name precorrin-6X
ChEBI ID CHEBI:27513
Definition The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8375, CHEBI:14875, CHEBI:26225
Supplier Information ZINC000096077692
Download Molfile XML SDF
Formula C44H54N4O16
Net Charge 0
Average Mass 894.91680
Monoisotopic Mass 894.35348
InChI InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1
InChIKey SOHWQLUTRKYCGZ-YTMGQXKNSA-N
SMILES C[C@@]12CC3=C(CCC(O)=O)[C@](C)(CC(O)=O)C(/C=C4\N[C@@](C)(C5=C(CC(O)=O)[C@@](C)(CCC(O)=O)C(CC(=N1)C(CCC(O)=O)=C2CC(O)=O)=N5)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)=N3
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-6X (CHEBI:27513) is a precorrin (CHEBI:26228)
precorrin-6X (CHEBI:27513) is conjugate acid of precorrin-6A(7−) (CHEBI:77872)
precorrin-6X (CHEBI:27513) is conjugate acid of precorrin-6X(8−) (CHEBI:58513)
Incoming precorrin-6A(7−) (CHEBI:77872) is conjugate base of precorrin-6X (CHEBI:27513)
precorrin-6X(8−) (CHEBI:58513) is conjugate base of precorrin-6X (CHEBI:27513)
IUPAC Name
3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Synonyms Sources
Precorrin 6A KEGG COMPOUND
Precorrin 6X KEGG COMPOUND
Manual Xref Database
C06320 KEGG COMPOUND
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Registry Number Type Source
4901842 Beilstein Registry Number Beilstein
Last Modified
05 June 2014