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2-methylstearoyl-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_143531

Term info

Label

2-methylstearoyl-CoA(4-)

database cross reference
Subsets

2_STAR

charge

-4

formula

C40H68N7O17P3S

has obo namespace

chebi_ontology

has related synonym

2-methyloctadecanoyl-CoA, 2-methyloctadecanoyl-CoA(4-)

id

CHEBI:143531

inchi

InChI=1S/C40H72N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(2)39(52)68-23-22-42-30(48)20-21-43-37(51)34(50)40(3,4)25-61-67(58,59)64-66(56,57)60-24-29-33(63-65(53,54)55)32(49)38(62-29)47-27-46-31-35(41)44-26-45-36(31)47/h26-29,32-34,38,49-50H,5-25H2,1-4H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t28?,29-,32-,33-,34+,38-/m1/s1

inchikey

BKWDZUVHXBVCDT-WFSMWQGZSA-J

mass

1044.000

monoisotopicmass

1043.36272

smiles

[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(C(CCCCCCCCCCCCCCCC)C)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O

Term relations