| Properties | Image |
|---|
| MNX_ID | MNXM181397 |
 |
| reference | slm:000439017 |
| formula | C59H93O22P4 |
| global charge | -7 |
| mol weight | 1278.267 |
| InChIKey | SGJJSYRPSMCDJE-QAOJOOEKSA-G |
| InChI | InChI=1S/C59H100O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(60)75-49-51(77-53(61)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2)50-76-85(73,74)81-56-54(62)57(78-82(64,65)66)59(80-84(70,71)72)58(55(56)63)79-83(67,68)69/h11-14,17-20,23-24,26-27,29-32,36,38,51,54-59,62-63H,3-10,15-16,21-22,25,28,33-35,37,39-50H2,1-2H3,(H,73,74)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)/p-7/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-,32-29-,38-36-/t51-,54+,55+,56-,57+,58-,59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H100O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-52(60)75-49-51(77-53(61)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2)50-76-85(73,74)81-56-54(62)57(78-82(64,65)66)59(80-84(70,71)72)58(55(56)63)79-83(67,68)69/h11-14,17-20,23-24,26-27,29-32,36,38,51,54-59,62-63H,3-10,15-16,21-22,25,28,33-35,37,39-50H2,1-2H3,(H,73,74)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,31-30-,32-29-,38-36-/t51-,54+,55+,56-,57+,58-,59-/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:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:52](=[O:60])[O:75][CH2:49][C@H:51]([CH2:50][O:76][P:85]([OH:73])(=[O:74])[O:81][C@@H:56]1[C@H:54]([OH:62])[C@H:57]([O:78][P:82]([OH:64])([OH:65])=[O:66])[C@@H:59]([O:80][P:84]([OH:70])([OH:71])=[O:72])[C@H:58]([O:79][P:83]([OH:67])([OH:68])=[O:69])[C@H:55]1[OH:63])[O:77][C:53]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:29]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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