| Properties | Image |
|---|
| MNX_ID | MNXM1131619 |
 |
| reference | lipidmapsM:LMSP02040101 |
| formula | C70H133NO6 |
| global charge | 0 |
| mol weight | 1084.835 |
| InChIKey | RGBWECDKELSZAB-FMORBPFTSA-N |
| InChI | InChI=1S/C70H133NO6/c1-3-5-7-9-11-13-15-17-32-37-41-45-49-53-57-61-70(76)77-64-58-54-50-46-42-38-34-31-29-27-25-23-21-19-20-22-24-26-28-30-33-36-40-44-48-52-56-60-69(75)71-67(65-72)68(74)63-62-66(73)59-55-51-47-43-39-35-18-16-14-12-10-8-6-4-2/h11,13,17,32,62-63,66-68,72-74H,3-10,12,14-16,18-31,33-61,64-65H2,1-2H3,(H,71,75)/b13-11-,32-17-,63-62+/t66-,67+,68-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H133NO6/c1-3-5-7-9-11-13-15-17-32-37-41-45-49-53-57-61-70(76)77-64-58-54-50-46-42-38-34-31-29-27-25-23-21-19-20-22-24-26-28-30-33-36-40-44-48-52-56-60-69(75)71-67(65-72)68(74)63-62-66(73)59-55-51-47-43-39-35-18-16-14-12-10-8-6-4-2/h11,13,17,32,62-63,66-68,72-74H,3-10,12,14-16,18-31,33-61,64-65H2,1-2H3,(H,71,75)/b13-11-,32-17-,63-62+/t66-,67+,68-/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:17]=[CH:32]\[CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][C:70](=[O:76])[O:77][CH2:64][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:33][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][C:69](=[N:71][C@@H:67]([CH2:65][OH:72])[C@@H:68](/[CH:63]=[CH:62]/[C@@H:66]([CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:73])[OH:74])[OH:75] |
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