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Pseudoecgonyl-CoA

MNXM92624 is deprecated and here replaced by MNXM1104762
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1104762Image of MNXM1104762
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
formulaC30H49N8O18P3S
charge0
mass934.20984
referencekeggC:C12450
InChIKeyLWFFRRDSDGEAQK-ZSCOKQQMSA-N
InChIInChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15?,16?,17-,18+,20-,22+,23+,24-,28+/m0/s1
SMILESCN1C2CCC1[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:pecgoncoa
biggM:pecgoncoa
seed.compound:cpd09201
seedM:cpd09201
kegg.compound:C12450
keggC:C12450 		Pseudoecgonyl-CoA
biggM:M_pecgoncoa
keggC:M_C12450
seedM:M_cpd09201 		secondary/obsolete/fantasy identifier