**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

3-oxostearoyl-ACP

Properties Image MNX_ID MNXM1563609 reference vmhM:ocdcaACPox vmhM:ocdcaACPox formula C29H53N2O9PS* global charge -1 mol weight 636.789 InChIKey   InChI   SMILES [*]OP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C30H57N2O9PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33)23-27(35)43-22-21-31-26(34)19-20-32-29(37)28(36)30(2,3)24-41-42(38,39)40-4/h28,36H,5-24H2,1-4H3,(H,31,34)(H,32,37)(H,38,39)/t28-/m0/s1/i4+1 SMILES (mnx) [CH3:1][CH2:5][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][C:25]([CH2:23][C:27](=[O:35])[S:43][CH2:22][CH2:21][NH:31][C:26]([CH2:19][CH2:20][NH:32][C:29]([C@@H:28]([C:30]([CH3:2])([CH3:3])[CH2:24][O:41][P:42](=[O:38])([OH:39])[O:40][13CH3:4])[OH:36])=[O:37])=[O:34])=[O:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:ocdcaACPox vmhM:ocdcaACPox vmhmetabolite:ocdcaACPox vmhmetabolite:ocdcaACPox	3-oxostearoyl-ACP
vmhM:3ooctdACP vmhM:3ooctdACP vmhM:3ooctdecACP vmhM:3ooctdecACP vmhM:3oxocdacp vmhM:3oxocdacp vmhM:HC02097 vmhM:HC02097 vmhM:M_ocdcaACPox	secondary/obsolete/fantasy identifier