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CHEBI:71490 - precorrin-7(6−)

Default Structure
ChEBI IDCHEBI:71490
ChEBI Nameprecorrin-7(6−)
Stars
ASCII Nameprecorrin-7(6-)
DefinitionA precorrin carboxylic acid anion that is the hexaanion of precorrin-7.
Last Modified10 January 2013
SubmitterKAX
DownloadsMolfile
FormulaC44H52N4O14
Net Charge-6
Average Mass860.914
Monoisotopic Mass860.35129
SMILES[H][C@]12N=C(C(C)C3=N[C@@](C)(CC4=C(CCC(=O)[O-])[C@](C)(CC(=O)[O-])C(=[NH+]4)/C=C4\N[C@]1(C)[C@@](C)(CC(=O)[O-])[C@@H]4CCC(=O)[O-])C(C)=C3CCC(=O)[O-])[C@](C)(CCC(=O)[O-])[C@H]2CC(=O)[O-]
InChIInChI=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
InChIKeyNNXVOJHDIACVHI-DLNMIVMTSA-H
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
precorrin-7 (CHEBI:71566) is conjugate acid of precorrin-7(6−) (CHEBI:71490)
Synonym  Source
precorrin-7 hexaanionChEBI
UniProt Name  Source
precorrin-7UniProt
Citations