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1-(12Z,15Z,18Z,21Z,24Z-triacontapentaenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM211062 Image of MNXM211062
referenceslm:000008725
formulaC60H108NO8P
global charge0
mol weight1002.497
InChIKeySAIDHTKATVSVJH-BXZAYPFHSA-N
InChIInChI=1S/C60H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-37-34-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26-27,29-30,32-33,58H,6-13,15,17-19,24-25,28,31,34-57H2,1-5H3/b16-14-,22-20-,23-21-,27-26-,30-29-,33-32-/t58-/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)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-37-34-25-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,26-27,29-30,32-33,58H,6-13,15,17-19,24-25,28,31,34-57H2,1-5H3/b16-14-,22-20-,23-21-,27-26-,30-29-,33-32-/t58-/m1/s1 Image of MNXM211062
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:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:59](=[O:62])[O:66][CH2:56][C@H:58]([CH2:57][O:68][P:70](=[O:64])([O-:65])[O:67][CH2:55][CH2:54][N+:61]([CH3:3])([CH3:4])[CH3:5])[O:69][C:60]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:63]
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:000008725
slm:000008725
SAIDHTKATVSVJH-BXZAYPFHSA-N
1-(12Z,15Z,18Z,21Z,24Z-triacontapentaenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine
PC(30:5(12Z,15Z,18Z,21Z,24Z)/22:1(13Z))
Phosphatidylcholine (30:5(12Z,15Z,18Z,21Z,24Z)/22:1(13Z))