Feedback

hydrocaffeoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146400

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₀H₄₀N₇O₁₉P₃S

charge

-4

mass

927.13345

reference

chebi:87137

InChIKey

NDSCGRAEWDSLKF-FUEUKBNZSA-J

InChI

InChI=1S/C30H44N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3,5,11,14-15,19,23-25,29,38-39,42-43H,4,6-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-4/t19-,23-,24-,25+,29-/m1/s1

SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1ccc(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87137 chebi:87137	hydrocaffeoyl-CoA 3-(3,4-dihydroxyphenyl)propanoyl-CoA(4-) 3-(3,4-dihydroxyphenyl)propanoyl-coenzyme A(4-) dihydrocaffeoyl-CoA(4-) dihydrocaffeoyl-coenzyme A(4-) hydrocaffeoyl-CoA(4-) hydrocaffeoyl-coenzyme A(4-)
seed.compound:cpd35716 seedM:cpd35716	3-(3,4-dihydroxyphenyl)propanoyl-CoA hydrocaffeoyl-CoA
kegg.compound:C21175 keggC:C21175	Dihydrocaffeoyl-CoA 3-(3,4-Dihydroxyphenyl)propanoyl-CoA Hydrocaffeyl-CoA
CHEBI:87451 chebi:87451	dihydrocaffeoyl-CoA 3-(3,4-dihydroxyphenyl)propanoyl-CoA 3-(3,4-dihydroxyphenyl)propanoyl-coenzyme A dihydrocaffeoyl-coenzyme A hydrocaffeoyl-CoA hydrocaffeoyl-coenzyme A
metacyc.compound:CPD-18003 metacycM:CPD-18003	hydrocaffeoyl-CoA 3-(3,4-dihydroxyphenyl)propanoyl-CoA
keggC:M_C21175 seedM:M_cpd35716	secondary/obsolete/fantasy identifier