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Cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1)

PropertiesImage
MNX_IDMNXM89950 Image of MNXM89950
referencebiggM:octeACP
formulaC29H53N2O8PS*
global charge-1
mol weight 
InChIKey 
InChI 
SMILES[*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCC=C
MNX internals
InChI (mnx)InChI=1/C30H57N2O8PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)42-24-23-31-26(33)21-22-32-29(36)28(35)30(2,3)25-40-41(37,38)39-4/h5,28,35H,1,6-25H2,2-4H3,(H,31,33)(H,32,36)(H,37,38)/t28?/i4+1 Image of MNXM89950
SMILES (mnx)[CH2:1]=[CH: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][CH2:19][CH2:20][C:27](=[O:34])[S:42][CH2:24][CH2:23][N:31]=[C:26]([CH2:21][CH2:22][N:32]=[C:29]([CH:28]([C:30]([CH3:2])([CH3:3])[CH2:25][O:40][P:41]([OH:37])(=[O:38])[O:39][13CH3:4])[OH:35])[OH:36])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)23
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:octeACP
biggM:octeACP
Cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1)

biggM:M_octeACP
secondary/obsolete/fantasy identifier