| Properties | Image |
|---|
| MNX_ID | MNXM728922 |
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| reference | chebi:74009 |
| formula | C118H195NO60P3 |
| global charge | -3 |
| mol weight | 2680.727 |
| InChIKey | FFOYMTZHPZCAFR-GGWOGHCCSA-K |
| InChI | InChI=1S/C118H198NO60P3/c1-57(2)25-15-26-58(3)27-16-28-59(4)29-17-30-60(5)31-18-32-61(6)33-19-34-62(7)35-20-36-63(8)37-21-38-64(9)39-22-40-65(10)41-23-42-66(11)43-24-44-67(12)45-46-157-181(152,153)179-182(154,155)178-109-79(119-68(13)130)99(84(135)73(51-124)158-109)168-110-94(145)100(85(136)74(52-125)159-110)169-111-96(147)102(87(138)76(54-127)160-111)171-115-107(92(143)82(133)69(47-120)164-115)175-117-105(90(141)80(131)71(49-122)166-117)173-113-95(146)101(86(137)75(53-126)162-113)170-112-97(148)103(88(139)77(55-128)161-112)172-116-108(93(144)83(134)70(48-121)165-116)176-118-106(91(142)81(132)72(50-123)167-118)174-114-98(149)104(177-180(150,151)156-14)89(140)78(56-129)163-114/h25,27,29,31,33,35,37,39,41,43,45,69-118,120-129,131-149H,15-24,26,28,30,32,34,36,38,40,42,44,46-56H2,1-14H3,(H,119,130)(H,150,151)(H,152,153)(H,154,155)/p-3/b58-27+,59-29+,60-31-,61-33-,62-35-,63-37-,64-39-,65-41-,66-43-,67-45-/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-/m1/s1 |
| SMILES | COP(=O)([O-])O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O[C@@H]6[C@@H](O[C@@H]7[C@@H](O[C@@H]8[C@H](O)[C@@H](O[C@@H]9[C@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H]%10NC(C)=O)O[C@H](CO)[C@H]9O)O[C@H](CO)[C@H]8O)O[C@H](CO)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@H]5O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C118H198NO60P3/c1-57(2)25-15-26-58(3)27-16-28-59(4)29-17-30-60(5)31-18-32-61(6)33-19-34-62(7)35-20-36-63(8)37-21-38-64(9)39-22-40-65(10)41-23-42-66(11)43-24-44-67(12)45-46-157-181(152,153)179-182(154,155)178-109-79(119-68(13)130)99(84(135)73(51-124)158-109)168-110-94(145)100(85(136)74(52-125)159-110)169-111-96(147)102(87(138)76(54-127)160-111)171-115-107(92(143)82(133)69(47-120)164-115)175-117-105(90(141)80(131)71(49-122)166-117)173-113-95(146)101(86(137)75(53-126)162-113)170-112-97(148)103(88(139)77(55-128)161-112)172-116-108(93(144)83(134)70(48-121)165-116)176-118-106(91(142)81(132)72(50-123)167-118)174-114-98(149)104(177-180(150,151)156-14)89(140)78(56-129)163-114/h25,27,29,31,33,35,37,39,41,43,45,69-118,120-129,131-149H,15-24,26,28,30,32,34,36,38,40,42,44,46-56H2,1-14H3,(H,119,130)(H,150,151)(H,152,153)(H,154,155)/b58-27+,59-29+,60-31-,61-33-,62-35-,63-37-,64-39-,65-41-,66-43-,67-45-/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:57]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:58]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:59]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:60]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:61]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:62]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:63]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:64]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:65]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:66]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:67]([CH3:12])=[CH:45]\[CH2:46][O:157][P:181]([OH:152])(=[O:153])[O:179][P:182]([OH:154])(=[O:155])[O:178][C@@H:109]1[C@H:79]([N:119]=[C:68]([CH3:13])[OH:130])[C@@H:99]([O:168][C@@H:110]2[C@@H:94]([OH:145])[C@@H:100]([O:169][C@@H:111]3[C@@H:96]([OH:147])[C@@H:102]([O:171][C@@H:115]4[C@@H:107]([O:175][C@@H:117]5[C@@H:105]([O:173][C@@H:113]6[C@@H:95]([OH:146])[C@@H:101]([O:170][C@@H:112]7[C@@H:97]([OH:148])[C@@H:103]([O:172][C@@H:116]8[C@@H:108]([O:176][C@@H:118]9[C@@H:106]([O:174][C@@H:114]%10[C@@H:98]([OH:149])[C@@H:104]([O:177][P:180]([OH:150])(=[O:151])[O:156][CH3:14])[C@H:89]([OH:140])[C@@H:78]([CH2:56][OH:129])[O:163]%10)[C@@H:91]([OH:142])[C@H:81]([OH:132])[C@@H:72]([CH2:50][OH:123])[O:167]9)[C@@H:93]([OH:144])[C@H:83]([OH:134])[C@@H:70]([CH2:48][OH:121])[O:165]8)[C@H:88]([OH:139])[C@@H:77]([CH2:55][OH:128])[O:161]7)[C@H:86]([OH:137])[C@@H:75]([CH2:53][OH:126])[O:162]6)[C@@H:90]([OH:141])[C@H:80]([OH:131])[C@@H:71]([CH2:49][OH:122])[O:166]5)[C@@H:92]([OH:143])[C@H:82]([OH:133])[C@@H:69]([CH2:47][OH:120])[O:164]4)[C@H:87]([OH:138])[C@@H:76]([CH2:54][OH:127])[O:160]3)[C@H:85]([OH:136])[C@@H:74]([CH2:52][OH:125])[O:159]2)[C@H:84]([OH:135])[C@@H:73]([CH2:51][OH:124])[O:158]1 |
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