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1-docosanoyl-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM346654 Image of MNXM346654
referenceslm:000012752
formulaC62H112NO8P
global charge0
mol weight1030.551
InChIKeyOOSMJMVBVOXHFH-RTDKCKBSSA-N
InChIInChI=1S/C62H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-53-55-62(65)71-60(59-70-72(66,67)69-57-56-63(3,4)5)58-68-61(64)54-52-50-48-46-44-42-40-38-36-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26-27,29-30,32-33,60H,6-7,9,11-13,15,17-19,21,23-25,28,31,34-59H2,1-5H3/b10-8-,16-14-,22-20-,27-26-,30-29-,33-32-/t60-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C62H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-53-55-62(65)71-60(59-70-72(66,67)69-57-56-63(3,4)5)58-68-61(64)54-52-50-48-46-44-42-40-38-36-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26-27,29-30,32-33,60H,6-7,9,11-13,15,17-19,21,23-25,28,31,34-59H2,1-5H3/b10-8-,16-14-,22-20-,27-26-,30-29-,33-32-/t60-/m1/s1 Image of MNXM346654
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH: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]\[CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:62](=[O:65])[O:71][C@H:60]([CH2:58][O:68][C:61]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:64])[CH2:59][O:70][P:72](=[O:66])([O-:67])[O:69][CH2:57][CH2:56][N+:63]([CH3:3])([CH3:4])[CH3:5]
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:000012752
slm:000012752
OOSMJMVBVOXHFH-RTDKCKBSSA-N
1-docosanoyl-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphocholine
PC(22:0/32:6(14Z,17Z,20Z,23Z,26Z,29Z))
Phosphatidylcholine (22:0/32:6(14Z,17Z,20Z,23Z,26Z,29Z))