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CHEBI:58581 - precorrin-8X(7−)

ChEBI IDCHEBI:58581
ChEBI Nameprecorrin-8X(7−)
Stars
ASCII Nameprecorrin-8X(7-)
DefinitionHeptaanion of precorrin-8X.
Last Modified9 September 2014
DownloadsMolfile
FormulaC45H53N4O14
Net Charge-7
Average Mass873.933
Monoisotopic Mass873.35967
SMILESCC1=C(CCC(=O)[O-])C2=N[C@@]1(C)CC1=N/C(=C(/C)C3=N[C@@](C)([C@@H]4N=C(C2C)[C@](C)(CCC(=O)[O-])[C@H]4CC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]1CCC(=O)[O-]
InChIInChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-7/b39-22-/t21?,25-,26-,27+,40-,41-,42+,43+,44+,45+/m1/s1
InChIKeyIGCZFSMEIXUSJY-FKUSVXTQSA-G
ChEBI Ontology
Outgoing Relation(s)
precorrin-8X(7−) (CHEBI:58581) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-8X(7−) (CHEBI:58581) is conjugate base of precorrin-8X (CHEBI:28629)
Incoming Relation(s)
precorrin-8X (CHEBI:28629) is conjugate acid of precorrin-8X(7−) (CHEBI:58581)
IUPAC Name 
3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoate
UniProt Name  Source
precorrin-8XUniProt