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1-(15-methylhexadecanoyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM228447 Image of MNXM228447
referenceslm:000022308
formulaC56H101O8P
global charge-2
mol weight933.39
InChIKeyXDYQKICIMPXNIE-UQFCYHJISA-L
InChIInChI=1S/C56H103O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-38-41-44-47-50-56(58)64-54(52-63-65(59,60)61)51-62-55(57)49-46-43-40-37-35-32-33-36-39-42-45-48-53(2)3/h8-9,11-12,14-15,17-18,53-54H,4-7,10,13,16,19-52H2,1-3H3,(H2,59,60,61)/p-2/b9-8-,12-11-,15-14-,18-17-/t54-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C56H103O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-38-41-44-47-50-56(58)64-54(52-63-65(59,60)61)51-62-55(57)49-46-43-40-37-35-32-33-36-39-42-45-48-53(2)3/h8-9,11-12,14-15,17-18,53-54H,4-7,10,13,16,19-52H2,1-3H3,(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-/t54-/m1/s1 Image of MNXM228447
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][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][CH2:34][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:58])[O:64][C@H:54]([CH2:51][O:62][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:32][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH:53]([CH3:2])[CH3:3])=[O:57])[CH2:52][O:63][P:65]([OH:59])([OH:60])=[O:61]
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:000022308
slm:000022308
XDYQKICIMPXNIE-UQFCYHJISA-L
1-(15-methylhexadecanoyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phosphate
PA(17:0/36:4(21Z,24Z,27Z,30Z))
Phosphatidate (17:0/36:4(21Z,24Z,27Z,30Z))