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CHEBI:57769 - precorrin-4(8−)

ChEBI IDCHEBI:57769
ChEBI Nameprecorrin-4(8−)
Stars
ASCII Nameprecorrin-4(8-)
DefinitionOctaanionic form of precorrin-4 arising from global deprotonation of the carboxy groups; major species at pH 7.3.
Last Modified22 May 2014
DownloadsMolfile
FormulaC44H44N4O17
Net Charge-8
Average Mass900.847
Monoisotopic Mass900.27453
SMILESCC(=O)C12N/C(=C\C3=NC(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])Cc3nc(c(CCC(=O)[O-])c3CC(=O)[O-])CC3=NC1=C(CC(=O)[O-])[C@@]3(C)CCC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]
InChIInChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/p-8/b29-17-/t24-,41-,42+,43+,44?/m1/s1
InChIKeyIOBDBIPWYQGVMM-VLMJWMIZSA-F
ChEBI Ontology
Outgoing Relation(s)
precorrin-4(8−) (CHEBI:57769) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-4(8−) (CHEBI:57769) is conjugate base of precorrin-4 (CHEBI:16430)
Incoming Relation(s)
precorrin-4 (CHEBI:16430) is conjugate acid of precorrin-4(8−) (CHEBI:57769)
Synonyms  Source
3,3',3'',3'''-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoateChEBI
precorrin-4 octaanionChEBI
UniProt Name  Source
precorrin-4UniProt