| Properties | Image |
|---|
| MNX_ID | MNXM156353 |
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| reference | lipidmapsM:LMSP0501AA64 |
| formula | C46H87NO8 |
| global charge | 0 |
| mol weight | 782.201 |
| InChIKey | TZTFJNIWJIQUHR-AULSHRDDSA-N |
| InChI | InChI=1S/C46H87NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-14-12-10-8-6-4-2/h29,31,33,35,39-41,43-46,48-49,51-53H,3-28,30,32,34,36-38H2,1-2H3,(H,47,50)/b31-29+,35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1 |
| SMILES | CCCCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H87NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-14-12-10-8-6-4-2/h29,31,33,35,39-41,43-46,48-49,51-53H,3-28,30,32,34,36-38H2,1-2H3,(H,47,50)/b31-29+,35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:42](=[N:47][C@@H:39]([CH2:38][O:54][C@H:46]1[C@H:45]([OH:53])[C@@H:44]([OH:52])[C@H:43]([OH:51])[C@@H:41]([CH2:37][OH:48])[O:55]1)[C@@H:40](/[CH:35]=[CH:33]/[CH:31]=[CH:29]/[CH2:27][CH2:25][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:49])[OH:50] |
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