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a cis-delta19-37-methoxy-38-methyl-C57:1-[acp]

PropertiesImage
MNX_IDMNXM147969 Image of MNXM147969
referencemetacycM:cis-D19-37-MOH-38-Me-C57-1-ACPs
formulaC72H137N3O10PS*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\CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C([*])=O
MNX internals
InChI (mnx)InChI=1/C74H144N3O10PS/c1-8-9-10-11-12-13-14-15-16-36-39-42-45-48-51-54-57-66(2)69(85-7)58-55-52-49-46-43-40-37-34-32-30-28-26-24-22-20-18-17-19-21-23-25-27-29-31-33-35-38-41-44-47-50-53-56-59-71(80)89-63-62-76-70(79)60-61-77-73(82)72(81)74(4,5)65-87-88(83,84)86-64-68(75-6)67(3)78/h17-18,66,68-69,72,75,81H,8-16,19-65H2,1-7H3,(H,76,79)(H,77,82)(H,83,84)/b18-17-/t66?,68-,69?,72-/m0/s1/i3+1,6+1 Image of MNXM147969
SMILES (mnx)[CH3:1][CH:56]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:10][CH2:9][CH2:8][CH2:7][13CH2:6][CH2:5][CH2:4][13CH2:3][CH3:2])[CH:57]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH:13]=[CH:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:55](=[CH2:58])[CH2:59][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])[CH2:60][CH3:61]
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
IdentifierDescription

metacyc.compound:cis-D19-37-MOH-38-Me-C57-1-ACPs
metacycM:cis-D19-37-MOH-38-Me-C57-1-ACPs
a cis-delta19-37-methoxy-38-methyl-C57:1-[acp]

seed.compound:cpd36102
seedM:cpd36102
a cis-delta19-37-methoxy-38-methyl-C57:1-[acp]
cis-D19-37-MOH-38-Me-C57-1-ACPs

seedM:M_cpd36102
secondary/obsolete/fantasy identifier