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1-(8Z,11Z,14Z-eicosatrienoyl)-2-octacosanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM956583 Image of MNXM956583
referenceslm:000648968
formulaC59H109NO9P
global charge-1
mol weight1007.493
InChIKeyRPMRUVWJICSRQE-SJHYFWPRSA-M
InChIInChI=1S/C59H110NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-48-51-59(63)69-56(55-68-70(64,65)67-53-52-60-57(61)49-46-9-6-3)54-66-58(62)50-47-44-42-40-38-36-34-32-23-21-19-17-15-13-11-8-5-2/h15,17,21,23,34,36,56H,4-14,16,18-20,22,24-33,35,37-55H2,1-3H3,(H,60,61)(H,64,65)/p-1/b17-15-,23-21-,36-34-/t56-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H110NO9P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-48-51-59(63)69-56(55-68-70(64,65)67-53-52-60-57(61)49-46-9-6-3)54-66-58(62)50-47-44-42-40-38-36-34-32-23-21-19-17-15-13-11-8-5-2/h15,17,21,23,34,36,56H,4-14,16,18-20,22,24-33,35,37-55H2,1-3H3,(H,60,61)(H,64,65)/b17-15-,23-21-,36-34-/t56-/m1/s1 Image of MNXM956583
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:48][CH2:51][C:59](=[O:63])[O:69][C@H:56]([CH2:54][O:66][C:58]([CH2:50][CH2:47][CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[CH2:55][O:68][P:70]([OH:64])(=[O:65])[O:67][CH2:53][CH2:52][N:60]=[C:57]([CH2:49][CH2:46][CH2:9][CH2:6][CH3:3])[OH: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:000648968
slm:000648968
RPMRUVWJICSRQE-SJHYFWPRSA-M
1-(8Z,11Z,14Z-eicosatrienoyl)-2-octacosanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-(8Z,11Z,14Z-eicosatrienoyl)-2-octacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (20:3(8Z,11Z,14Z)/28:0/6:0)