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6-Hydroxyferuloyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM10353Image of MNXM10353
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
formulaC31H44N7O20P3S
charge0
mass959.15747
referencekeggC:C21459
InChIKeyNWKKCROQKYNXQZ-GVNCYCPWSA-N
InChIInChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)5-4-16-10-19(53-3)18(40)11-17(16)39)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10-11,14-15,20,24-26,30,39-40,43-44H,6-9,12-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t20-,24-,25-,26+,30-/m1/s1
SMILESCOc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)c(O)cc1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
kegg.compound:C21459
keggC:C21459 		6-Hydroxyferuloyl-CoA
CHEBI:142390
chebi:142390 		(E)-6-hydroxyferuloyl-CoA
trans-6-hydroxyferuloyl-CoA(4-)
seed.compound:cpd23836
seedM:cpd23836 		6'-hydroxyferuloyl-CoA
metacyc.compound:CPD-13328
metacycM:CPD-13328 		trans-6-hydroxyferuloyl-CoA
(2E)-6-hydroxyferuloyl-CoA
2,4-dihydroxy-3-methoxycinnamoyl-CoA
keggC:M_C21459
seedM:M_cpd23836 		secondary/obsolete/fantasy identifier