CHEBI:57769 - precorrin-4(8−)

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ChEBI Name precorrin-4(8−)
ChEBI ID CHEBI:57769
ChEBI ASCII Name precorrin-4(8-)
Definition Octaanionic form of precorrin-4 arising from global deprotonation of the carboxy groups; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358
Download Molfile XML SDF
Formula C44H44N4O17
Net Charge -8
Average Mass 900.83680
Monoisotopic Mass 900.27453
InChI InChI=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
InChIKey IOBDBIPWYQGVMM-VLMJWMIZSA-F
SMILES CC(=O)C12N\C(=C/C3=NC(Cc4[nH]c(CC5=NC1=C(CC([O-])=O)[C@@]5(C)CCC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)=C(CCC([O-])=O)[C@]3(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O
ChEBI Ontology
Outgoing 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 precorrin-4 (CHEBI:16430) is conjugate acid of precorrin-4(8−) (CHEBI:57769)
Synonyms Sources
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]tetrapropanoate ChEBI
precorrin-4 UniProt
precorrin-4 octaanion ChEBI
Last Modified
22 May 2014