| Properties | Image |
|---|
| MNX_ID | MNXM1131543 |
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| reference | lipidmapsM:LMSP02040022 |
| formula | C68H129NO6 |
| global charge | 0 |
| mol weight | 1056.781 |
| InChIKey | BHVSHIWHUCTIKV-KDEOQDHTSA-N |
| InChI | InChI=1S/C68H129NO6/c1-3-5-7-9-11-13-15-16-32-36-39-43-47-51-55-59-68(74)75-62-56-52-48-44-40-37-34-31-29-27-25-23-21-19-17-18-20-22-24-26-28-30-33-35-38-42-46-50-54-58-67(73)69-65(63-70)66(72)61-60-64(71)57-53-49-45-41-14-12-10-8-6-4-2/h11,13,16,32,60-61,64-66,70-72H,3-10,12,14-15,17-31,33-59,62-63H2,1-2H3,(H,69,73)/b13-11-,32-16-,61-60+/t64-,65+,66-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H129NO6/c1-3-5-7-9-11-13-15-16-32-36-39-43-47-51-55-59-68(74)75-62-56-52-48-44-40-37-34-31-29-27-25-23-21-19-17-18-20-22-24-26-28-30-33-35-38-42-46-50-54-58-67(73)69-65(63-70)66(72)61-60-64(71)57-53-49-45-41-14-12-10-8-6-4-2/h11,13,16,32,60-61,64-66,70-72H,3-10,12,14-15,17-31,33-59,62-63H2,1-2H3,(H,69,73)/b13-11-,32-16-,61-60+/t64-,65+,66-/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:32]\[CH2:36][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][C:68](=[O:74])[O:75][CH2:62][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:33][CH2:35][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][C:67](=[N:69][C@@H:65]([CH2:63][OH:70])[C@@H:66](/[CH:61]=[CH:60]/[C@@H:64]([CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:71])[OH:72])[OH:73] |
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