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1-(12Z,15Z,18Z,21Z,24Z-triacontapentaenoyl)-2-triacontanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM211972 Image of MNXM211972
referenceslm:000008786
formulaC68H126NO8P
global charge0
mol weight1116.729
InChIKeyJYVRXXMXOQSAND-FBYLCDNUSA-N
InChIInChI=1S/C68H126NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-67(70)74-64-66(65-76-78(72,73)75-63-62-69(3,4)5)77-68(71)61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,38,40,66H,6-13,15,17-19,21,23-25,27,29-31,33,35-37,39,41-65H2,1-5H3/b16-14-,22-20-,28-26-,34-32-,40-38-/t66-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C68H126NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-67(70)74-64-66(65-76-78(72,73)75-63-62-69(3,4)5)77-68(71)61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,38,40,66H,6-13,15,17-19,21,23-25,27,29-31,33,35-37,39,41-65H2,1-5H3/b16-14-,22-20-,28-26-,34-32-,40-38-/t66-/m1/s1 Image of MNXM211972
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:40]\[CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][C:67](=[O:70])[O:74][CH2:64][C@H:66]([CH2:65][O:76][P:78](=[O:72])([O-:73])[O:75][CH2:63][CH2:62][N+:69]([CH3:3])([CH3:4])[CH3:5])[O:77][C:68]([CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:71]
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:000008786
slm:000008786
JYVRXXMXOQSAND-FBYLCDNUSA-N
1-(12Z,15Z,18Z,21Z,24Z-triacontapentaenoyl)-2-triacontanoyl-sn-glycero-3-phosphocholine
PC(30:5(12Z,15Z,18Z,21Z,24Z)/30:0)
Phosphatidylcholine (30:5(12Z,15Z,18Z,21Z,24Z)/30:0)