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 No supplier information found for this compound.
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