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1-(13-methyltetradecanoyl)-2-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM213101 Image of MNXM213101
referenceslm:000037632
formulaC57H102O10P
global charge-1
mol weight978.407
InChIKeyWKGKTNHQRXJTAU-NOPLTQPISA-M
InChIInChI=1S/C57H103O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-39-42-45-48-57(61)67-55(52-66-68(62,63)65-50-54(59)49-58)51-64-56(60)47-44-41-38-36-33-34-37-40-43-46-53(2)3/h5-6,8-9,11-12,14-15,17-18,53-55,58-59H,4,7,10,13,16,19-52H2,1-3H3,(H,62,63)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-/t54-,55+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C57H103O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-39-42-45-48-57(61)67-55(52-66-68(62,63)65-50-54(59)49-58)51-64-56(60)47-44-41-38-36-33-34-37-40-43-46-53(2)3/h5-6,8-9,11-12,14-15,17-18,53-55,58-59H,4,7,10,13,16,19-52H2,1-3H3,(H,62,63)/b6-5-,9-8-,12-11-,15-14-,18-17-/t54-,55+/m0/s1 Image of MNXM213101
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:35][CH2:39][CH2:42][CH2:45][CH2:48][C:57](=[O:61])[O:67][C@H:55]([CH2:51][O:64][C:56]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:36][CH2:33][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH:53]([CH3:2])[CH3:3])=[O:60])[CH2:52][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:50][C@H:54]([CH2:49][OH:58])[OH:59]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000037632
slm:000037632
WKGKTNHQRXJTAU-NOPLTQPISA-M
1-(13-methyltetradecanoyl)-2-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(15:0/36:5(21Z,24Z,27Z,30Z,33Z))
Phosphatidylglycerol (15:0/36:5(21Z,24Z,27Z,30Z,33Z))