CHEBI:71490 - precorrin-7(6−)

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ChEBI Name precorrin-7(6−)
ChEBI ID CHEBI:71490
ChEBI ASCII Name precorrin-7(6-)
Definition A precorrin carboxylic acid anion that is the hexaanion of precorrin-7.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C44H52N4O14
Net Charge -6
Average Mass 860.90210
Monoisotopic Mass 860.35129
InChI InChI=1S/C44H58N4O14/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56/h17,21,25-26,39,47H,8-16,18-20H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-6/b27-17-/t21?,25-,26+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKey NNXVOJHDIACVHI-DLNMIVMTSA-H
SMILES [H][C@]12N=C(C(C)C3=N[C@@](C)(CC4=C(CCC([O-])=O)[C@](C)(CC([O-])=O)C(/C=C5\N[C@]1(C)[C@@](C)(CC([O-])=O)[C@@H]5CCC([O-])=O)=[NH+]4)C(C)=C3CCC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]2CC([O-])=O
ChEBI Ontology
Outgoing precorrin-7(6−) (CHEBI:71490) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-7(6−) (CHEBI:71490) is conjugate base of precorrin-7 (CHEBI:71566)
Incoming precorrin-7 (CHEBI:71566) is conjugate acid of precorrin-7(6−) (CHEBI:71490)
Synonyms Sources
precorrin-7 UniProt
precorrin-7 hexaanion ChEBI
Citation Waiting for Citations Type Source
23042036 PubMed citation SUBMITTER
Last Modified
10 January 2013
General Comment
2013-01-10 The structure depicted is an amendment of a previous tentatively-assigned structure and is based on the first reported isolation and structural elucidation of precorrin-7 described in PMID:23042036. This has been confirmed by personal correspondence with the authors.