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a cis,cis-delta7,25-C44:2-[acp]

PropertiesImage
MNX_IDMNXM11057 Image of MNXM11057
referencemetacycM:cis-cis-D7-25-C44-2-ACPs
formulaC58H107N3O9PS*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)CCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O
MNX internals
InChI (mnx)InChI=1/C60H114N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-57(66)74-51-50-62-56(65)48-49-63-59(68)58(67)60(3,4)53-72-73(69,70)71-52-55(61-5)54(2)64/h23-24,41-42,55,58,61,67H,6-22,25-40,43-53H2,1-5H3,(H,62,65)(H,63,68)(H,69,70)/b24-23-,42-41-/t55-,58-/m0/s1/i2+1,5+1 Image of MNXM11057
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][C:44](=[CH2:45])[CH2:46][CH2:52][CH2:51][CH2:58][C:54]([CH2:49][CH2:50][CH2:59][C:56]([CH:55]([C:57]([CH3:47])([CH3:48])[CH2:53][NH:63][O:64]([O:72][O:65][O:66]([O:67]([OH:68])=[O:70])[O:69][OH:71])([PH2:73])=[S:74])[NH2:61])=[NH:62])=[CH2:60]
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-cis-D7-25-C44-2-ACPs
metacycM:cis-cis-D7-25-C44-2-ACPs
a cis,cis-delta7,25-C44:2-[acp]

seed.compound:cpd28435
seedM:cpd28435
a cis,cis-delta7,25-C44:2-[acp]
cis-cis-D7-25-C44-2-ACPs

seedM:M_cpd28435
secondary/obsolete/fantasy identifier