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a cis-delta19-C38:1-[acp]

PropertiesImage
MNX_IDMNXM11086 Image of MNXM11086
referencemetacycM:cis-delta19-C38-ACPs
formulaC52H97N3O9PS*2
global charge-1
mol weight 
InChIKey 
InChI 
SMILES[*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O
MNX internals
InChI (mnx)InChI=1/C54H104N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-51(60)68-45-44-56-50(59)42-43-57-53(62)52(61)54(3,4)47-66-67(63,64)65-46-49(55-5)48(2)58/h23-24,49,52,55,61H,6-22,25-47H2,1-5H3,(H,56,59)(H,57,62)(H,63,64)/b24-23-/t49-,52-/m0/s1/i2+1,5+1 Image of MNXM11086
SMILES (mnx)[CH3:1][13CH2:2][CH2:3][CH2:4][13CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][C:38](=[CH2:39])[CH2:40][CH2:46][CH2:45][CH2:52][C:48]([CH2:43][CH2:44][CH2:53][C:50]([CH:49]([C:51]([CH3:41])([CH3:42])[CH2:47][NH:57][O:58]([O:66][O:59][O:60]([O:61]([OH:62])=[O:64])[O:63][OH:65])([PH2:67])=[S:68])[NH2:55])=[NH:56])=[CH2:54]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:cis-delta19-C38-ACPs
metacycM:cis-delta19-C38-ACPs
a cis-delta19-C38:1-[acp]

seed.compound:cpd28456
seedM:cpd28456
a cis-delta19-C38:1-[acp]
cis-delta19-C38-ACPs

seedM:M_cpd28456
secondary/obsolete/fantasy identifier