| Properties | Image |
|---|
| MNX_ID | MNXM190562 |
 |
| reference | slm:000439163 |
| formula | C65H113O22P4 |
| global charge | -7 |
| mol weight | 1370.493 |
| InChIKey | IWMMVMXEFRQGDO-YJIPLEQDSA-G |
| InChI | InChI=1S/C65H120O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-59(67)83-57(55-81-58(66)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)56-82-91(79,80)87-62-60(68)63(84-88(70,71)72)65(86-90(76,77)78)64(61(62)69)85-89(73,74)75/h11,13-14,16-17,19,21-22,24-25,57,60-65,68-69H,3-10,12,15,18,20,23,26-56H2,1-2H3,(H,79,80)(H2,70,71,72)(H2,73,74,75)(H2,76,77,78)/p-7/b13-11-,16-14+,19-17-,22-21-,25-24-/t57-,60+,61+,62-,63+,64-,65-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C65H120O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-59(67)83-57(55-81-58(66)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)56-82-91(79,80)87-62-60(68)63(84-88(70,71)72)65(86-90(76,77)78)64(61(62)69)85-89(73,74)75/h11,13-14,16-17,19,21-22,24-25,57,60-65,68-69H,3-10,12,15,18,20,23,26-56H2,1-2H3,(H,79,80)(H2,70,71,72)(H2,73,74,75)(H2,76,77,78)/b13-11-,16-14+,19-17-,22-21-,25-24-/t57-,60+,61+,62-,63+,64-,65-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:59](=[O:67])[O:83][C@H:57]([CH2:55][O:81][C:58]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:66])[CH2:56][O:82][P:91]([OH:79])(=[O:80])[O:87][C@@H:62]1[C@H:60]([OH:68])[C@H:63]([O:84][P:88]([OH:70])([OH:71])=[O:72])[C@@H:65]([O:86][P:90]([OH:76])([OH:77])=[O:78])[C@H:64]([O:85][P:89]([OH:73])([OH:74])=[O:75])[C@H:61]1[OH:69] |
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