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oscr#32-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_140034

An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#32-CoA; major species at pH 7.3.

Term info

Label

oscr#32-CoA(4-)

Subsets

3_STAR

charge

-4

formula

C45H76N7O21P3S

has obo namespace

chebi_ontology

has related synonym

18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadecanoyl-CoA(4-), oscr#32-coenzyme A(4-), 18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadecanoyl-coenzyme A(4-)

id

CHEBI:140034

inchi

InChI=1S/C45H80N7O21P3S/c1-30-31(53)25-32(54)44(70-30)67-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-35(56)77-24-22-47-34(55)20-21-48-42(59)39(58)45(2,3)27-69-76(65,66)73-75(63,64)68-26-33-38(72-74(60,61)62)37(57)43(71-33)52-29-51-36-40(46)49-28-50-41(36)52/h28-33,37-39,43-44,53-54,57-58H,4-27H2,1-3H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t30-,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1

inchikey

BJOUIQKXTWDKHE-HWURDKBHSA-J

mass

1176.108

monoisotopicmass

1175.40498

smiles

S(CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)C(CCCCCCCCCCCCCCCCCO[C@H]4[C@@H](C[C@H]([C@@H](O4)C)O)O)=O

Term relations