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(3S)-hydroxyhexadecanedioyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_77199

An (S)-3-hydroxyacyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (3S)-hydroxyhexadecanedioic acid.

Term info

Label

(3S)-hydroxyhexadecanedioyl-CoA

Subsets

3_STAR

charge

0

formula

C37H64N7O20P3S

has obo namespace

chebi_ontology

has related synonym

(3S)-hydroxyhexadecanedioyl-coenzyme A

id

CHEBI:77199

inchi

InChI=1S/C37H64N7O20P3S/c1-37(2,32(51)35(52)40-16-15-26(46)39-17-18-68-28(49)19-24(45)13-11-9-7-5-3-4-6-8-10-12-14-27(47)48)21-61-67(58,59)64-66(56,57)60-20-25-31(63-65(53,54)55)30(50)36(62-25)44-23-43-29-33(38)41-22-42-34(29)44/h22-25,30-32,36,45,50-51H,3-21H2,1-2H3,(H,39,46)(H,40,52)(H,47,48)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t24-,25+,30+,31+,32-,36+/m0/s1

inchikey

QNUDSTASHBDCFR-SVVIZOHVSA-N

mass

1051.92500

monoisotopicmass

1051.31397

smiles

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCCCCCCCCCCCC(O)=O