| Properties | Image |
|---|
| MNX_ID | MNXM1131595 |
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| reference | lipidmapsM:LMSP02040077 |
| formula | C65H123NO6 |
| global charge | 0 |
| mol weight | 1014.7 |
| InChIKey | NUZFZYBBLFUJKX-CUYPFJSRSA-N |
| InChI | InChI=1S/C65H123NO6/c1-3-5-7-9-11-13-15-16-29-33-36-40-44-48-52-56-65(71)72-59-53-49-45-41-37-34-31-28-26-24-22-20-18-17-19-21-23-25-27-30-32-35-39-43-47-51-55-64(70)66-62(60-67)63(69)58-57-61(68)54-50-46-42-38-14-12-10-8-6-4-2/h11,13,16,29,57-58,61-63,67-69H,3-10,12,14-15,17-28,30-56,59-60H2,1-2H3,(H,66,70)/b13-11-,29-16-,58-57+/t61-,62+,63-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H123NO6/c1-3-5-7-9-11-13-15-16-29-33-36-40-44-48-52-56-65(71)72-59-53-49-45-41-37-34-31-28-26-24-22-20-18-17-19-21-23-25-27-30-32-35-39-43-47-51-55-64(70)66-62(60-67)63(69)58-57-61(68)54-50-46-42-38-14-12-10-8-6-4-2/h11,13,16,29,57-58,61-63,67-69H,3-10,12,14-15,17-28,30-56,59-60H2,1-2H3,(H,66,70)/b13-11-,29-16-,58-57+/t61-,62+,63-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:29]\[CH2:33][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][C:65](=[O:71])[O:72][CH2:59][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:34][CH2:31][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:30][CH2:32][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][C:64](=[N:66][C@@H:62]([CH2:60][OH:67])[C@@H:63](/[CH:58]=[CH:57]/[C@@H:61]([CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:68])[OH:69])[OH:70] |
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