| Properties | Image |
|---|
| MNX_ID | MNXM10381 |
 |
| reference | metacycM:CPD1G-771 |
| formula | C97H187O17P |
| global charge | -2 |
| mol weight | 1656.52 |
| InChIKey | NYSGJFYKJQFMRN-ZVNWTMLTSA-L |
| InChI | InChI=1S/C97H189O17P/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-32-39-45-51-57-63-69-75-84(95(105)110-79-87-89(99)91(101)93(103)96(112-87)114-97-94(104)92(102)90(100)88(113-97)80-111-115(106,107)108)85(98)76-70-64-58-52-46-40-33-29-31-37-43-49-55-61-67-73-82-78-83(82)74-68-62-56-50-44-38-34-35-41-47-53-59-65-71-77-86(109-4)81(3)72-66-60-54-48-42-36-30-22-20-18-16-14-12-10-8-6-2/h81-94,96-104H,5-80H2,1-4H3,(H2,106,107,108)/p-2/t81?,82?,83?,84?,85-,86?,87-,88-,89-,90-,91+,92+,93-,94-,96-,97-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C97H189O17P/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-32-39-45-51-57-63-69-75-84(95(105)110-79-87-89(99)91(101)93(103)96(112-87)114-97-94(104)92(102)90(100)88(113-97)80-111-115(106,107)108)85(98)76-70-64-58-52-46-40-33-29-31-37-43-49-55-61-67-73-82-78-83(82)74-68-62-56-50-44-38-34-35-41-47-53-59-65-71-77-86(109-4)81(3)72-66-60-54-48-42-36-30-22-20-18-16-14-12-10-8-6-2/h81-94,96-104H,5-80H2,1-4H3,(H2,106,107,108)/t81?,82?,83?,84?,85-,86?,87-,88-,89-,90-,91+,92+,93-,94-,96-,97-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:32][CH2:39][CH2:45][CH2:51][CH2:57][CH2:63][CH2:69][CH2:75][CH:84]([C@@H:85]([CH2:76][CH2:70][CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:29][CH2:31][CH2:37][CH2:43][CH2:49][CH2:55][CH2:61][CH2:67][CH2:73][CH:82]1[CH2:78][CH:83]1[CH2:74][CH2:68][CH2:62][CH2:56][CH2:50][CH2:44][CH2:38][CH2:34][CH2:35][CH2:41][CH2:47][CH2:53][CH2:59][CH2:65][CH2:71][CH2:77][CH:86]([CH:81]([CH3:3])[CH2:72][CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:36][CH2:30][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[O:109][CH3:4])[OH:98])[C:95](=[O:105])[O:110][CH2:79][C@@H:87]1[C@@H:89]([OH:99])[C@H:91]([OH:101])[C@@H:93]([OH:103])[C@@H:96]([O:114][C@@H:97]2[C@H:94]([OH:104])[C@@H:92]([OH:102])[C@H:90]([OH:100])[C@@H:88]([CH2:80][O:111][P:115]([OH:106])([OH:107])=[O:108])[O:113]2)[O:112]1 |
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