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oscr#36-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_140046

An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#36-CoA; major species at pH 7.3.

Term info

Label

oscr#36-CoA(4-)

Subsets

3_STAR

charge

-4

formula

C47H80N7O21P3S

has obo namespace

chebi_ontology

has related synonym

20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]icosanoyl-CoA(4-), oscr#36-coenzyme A(4-), 20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]icosanoyl-coenzyme A(4-)

id

CHEBI:140046

inchi

InChI=1S/C47H84N7O21P3S/c1-32-33(55)27-34(56)46(72-32)69-25-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-37(58)79-26-24-49-36(57)22-23-50-44(61)41(60)47(2,3)29-71-78(67,68)75-77(65,66)70-28-35-40(74-76(62,63)64)39(59)45(73-35)54-31-53-38-42(48)51-30-52-43(38)54/h30-35,39-41,45-46,55-56,59-60H,4-29H2,1-3H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/p-4/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1

inchikey

CTDISUDSHUNLOZ-LTSXADRNSA-J

mass

1204.162

monoisotopicmass

1203.43628

smiles

[C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O

Term relations