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oscr#30-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_140028

An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#30-CoA; major species at pH 7.3.

Term info

Label

oscr#30-CoA(4-)

Subsets

3_STAR

charge

-4

formula

C44H74N7O21P3S

has obo namespace

chebi_ontology

has related synonym

17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptadecanoyl-CoA(4-), 17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptadecanoyl-coenzyme A(4-), oscr#30-coenzyme A(4-)

id

CHEBI:140028

inchi

InChI=1S/C44H78N7O21P3S/c1-29-30(52)24-31(53)43(69-29)66-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-34(55)76-23-21-46-33(54)19-20-47-41(58)38(57)44(2,3)26-68-75(64,65)72-74(62,63)67-25-32-37(71-73(59,60)61)36(56)42(70-32)51-28-50-35-39(45)48-27-49-40(35)51/h27-32,36-38,42-43,52-53,56-57H,4-26H2,1-3H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/p-4/t29-,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1

inchikey

NFHBZTOXWBZNFL-OVBGKJABSA-J

mass

1162.082

monoisotopicmass

1161.38933

smiles

[C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCC(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