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1-O-(15-methylhexadecyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1031207 Image of MNXM1031207
referenceslm:000723596
formulaC64H119NO8P
global charge-1
mol weight1061.629
InChIKeyOJUCMRVXFBNFTM-STRJDTQTSA-M
InChIInChI=1S/C64H120NO8P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-41-44-47-51-55-64(67)73-62(60-72-74(68,69)71-58-56-65-63(66)54-49-8-6-2)59-70-57-52-48-45-42-39-36-35-37-40-43-46-50-53-61(3)4/h11-12,14-15,17-18,20-21,61-62H,5-10,13,16,19,22-60H2,1-4H3,(H,65,66)(H,68,69)/p-1/b12-11-,15-14-,18-17-,21-20-/t62-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCC
MNX internals
InChI (mnx)InChI=1/C64H120NO8P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-41-44-47-51-55-64(67)73-62(60-72-74(68,69)71-58-56-65-63(66)54-49-8-6-2)59-70-57-52-48-45-42-39-36-35-37-40-43-46-50-53-61(3)4/h11-12,14-15,17-18,20-21,61-62H,5-10,13,16,19,22-60H2,1-4H3,(H,65,66)(H,68,69)/b12-11-,15-14-,18-17-,21-20-/t62-/m1/s1 Image of MNXM1031207
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:38][CH2:41][CH2:44][CH2:47][CH2:51][CH2:55][C:64](=[O:67])[O:73][C@H:62]([CH2:59][O:70][CH2:57][CH2:52][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:50][CH2:53][CH:61]([CH3:3])[CH3:4])[CH2:60][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:58][CH2:56][N:65]=[C:63]([CH2:54][CH2:49][CH2:8][CH2:6][CH3:2])[OH:66]
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:000723596
slm:000723596
OJUCMRVXFBNFTM-STRJDTQTSA-M
1-O-(15-methylhexadecyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(15-methylhexadecyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-17:0(15-me)/36:4(21Z,24Z,27Z,30Z)/6:0)