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oscr#30-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_140027

An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#30.

Term info

Label

oscr#30-CoA

Subsets

3_STAR

charge

0

formula

C44H78N7O21P3S

has obo namespace

chebi_ontology

has related synonym

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

id

CHEBI:140027

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)/t29-,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1

inchikey

NFHBZTOXWBZNFL-OVBGKJABSA-N

mass

1166.114

monoisotopicmass

1165.41843

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