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

a cis,cis-delta21,39-3-oxo-C58:2-[acp]

Properties Image MNX_ID MNXM11042 reference metacycM:cis-cis-D21-39-3-oxo-C58-2-ACPs formula C72H133N3O10PS*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)CC(=O)CCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C74H140N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-68(79)64-71(81)89-63-62-76-70(80)60-61-77-73(83)72(82)74(3,4)66-87-88(84,85)86-65-69(75-5)67(2)78/h23-24,41-42,69,72,75,82H,6-22,25-40,43-66H2,1-5H3,(H,76,80)(H,77,83)(H,84,85)/b24-23-,42-41-/t69-,72-/m0/s1/i2+1,5+1 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]/[CH:37]=[CH:38]/[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][C:56]([CH2:57][C:58](=[CH2:59])[CH2:60][CH2:67][CH2:66][CH2:73][C:69]([CH2:64][CH2:65][CH2:74][C:71]([C@H:70]([C:72]([CH3:62])([CH3:63])[CH2:68][O:78][O:79]([O:87][O:80][O:81]([O:82]([OH:83])=[O:85])[O:84][OH:86])([PH2:88])=[S:89])[NH2:76])=[NH:77])=[NH:75])=[CH2:61]

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

Identifier	Description
metacyc.compound:cis-cis-D21-39-3-oxo-C58-2-ACPs metacycM:cis-cis-D21-39-3-oxo-C58-2-ACPs	a cis,cis-delta21,39-3-oxo-C58:2-[acp]
seed.compound:cpd28420 seedM:cpd28420	a cis,cis-delta21,39-3-oxo-C58:2-[acp] cis-cis-D21-39-3-oxo-C58-2-ACPs
seedM:M_cpd28420	secondary/obsolete/fantasy identifier