| Properties | Image |
|---|
| MNX_ID | MNXM1131601 |
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| reference | lipidmapsM:LMSP02040083 |
| formula | C64H121NO6 |
| global charge | 0 |
| mol weight | 1000.673 |
| InChIKey | UYZUHDPYFUSENR-GGTAXDPYSA-N |
| InChI | InChI=1S/C64H121NO6/c1-3-5-7-9-11-13-14-15-28-32-35-39-43-47-51-55-64(70)71-58-52-48-44-40-36-33-30-27-25-23-21-19-17-16-18-20-22-24-26-29-31-34-38-42-46-50-54-63(69)65-61(59-66)62(68)57-56-60(67)53-49-45-41-37-12-10-8-6-4-2/h11,13,15,28,56-57,60-62,66-68H,3-10,12,14,16-27,29-55,58-59H2,1-2H3,(H,65,69)/b13-11-,28-15-,57-56+/t60?,61-,62+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/C(O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H121NO6/c1-3-5-7-9-11-13-14-15-28-32-35-39-43-47-51-55-64(70)71-58-52-48-44-40-36-33-30-27-25-23-21-19-17-16-18-20-22-24-26-29-31-34-38-42-46-50-54-63(69)65-61(59-66)62(68)57-56-60(67)53-49-45-41-37-12-10-8-6-4-2/h11,13,15,28,56-57,60-62,66-68H,3-10,12,14,16-27,29-55,58-59H2,1-2H3,(H,65,69)/b13-11-,28-15-,57-56+/t60?,61-,62+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:28]\[CH2:32][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][C:64](=[O:70])[O:71][CH2:58][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:33][CH2:30][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:29][CH2:31][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][C:63](=[N:65][C@@H:61]([CH2:59][OH:66])[C@@H:62](/[CH:57]=[CH:56]/[CH:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:67])[OH:68])[OH:69] |
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