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cis-enol-3-oxomelilotoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM10113Image of MNXM10113
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC30H38N7O19P3S
charge-4
mass925.1178
referencemetacycM:CPD-12114
InChIKeyDVKICQVYPFLMFO-UXIZECEMSA-J
InChIInChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)11-18(39)16-5-3-4-6-17(16)38)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/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-4/b18-11-/t19-,23-,24-,25+,29-/m1/s1
SMILESCC(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)/C=C(\O)c1ccccc1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-12114
metacycM:CPD-12114
seed.compound:cpd23247
seedM:cpd23247
cis-enol-3-oxomelilotoyl-CoA
seedM:M_cpd23247 secondary/obsolete/fantasy identifier