| Properties | Image |
| MNX_ID | MNXM728672 |
 |
| reference | chebi:74008 |
| formula | C117H192NO60P3 |
| global charge | -4 |
| mol weight | 2665.692 |
| InChIKey | YDGHPCXLHFPDCK-MDKSVYSISA-J |
| InChI | InChI=1S/C117H196NO60P3/c1-56(2)24-14-25-57(3)26-15-27-58(4)28-16-29-59(5)30-17-31-60(6)32-18-33-61(7)34-19-35-62(8)36-20-37-63(9)38-21-39-64(10)40-22-41-65(11)42-23-43-66(12)44-45-156-180(152,153)178-181(154,155)177-108-78(118-67(13)129)98(83(134)72(50-123)157-108)167-109-93(144)99(84(135)73(51-124)158-109)168-110-95(146)101(86(137)75(53-126)159-110)170-114-106(91(142)81(132)68(46-119)163-114)174-116-104(89(140)79(130)70(48-121)165-116)172-112-94(145)100(85(136)74(52-125)161-112)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)173-113-97(148)103(176-179(149,150)151)88(139)77(55-128)162-113/h24,26,28,30,32,34,36,38,40,42,44,68-117,119-128,130-148H,14-23,25,27,29,31,33,35,37,39,41,43,45-55H2,1-13H3,(H,118,129)(H,152,153)(H,154,155)(H2,149,150,151)/p-4/b57-26+,58-28+,59-30-,60-32-,61-34-,62-36-,63-38-,64-40-,65-42-,66-44-/t68-,69-,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-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[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)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C117H196NO60P3/c1-56(2)24-14-25-57(3)26-15-27-58(4)28-16-29-59(5)30-17-31-60(6)32-18-33-61(7)34-19-35-62(8)36-20-37-63(9)38-21-39-64(10)40-22-41-65(11)42-23-43-66(12)44-45-156-180(152,153)178-181(154,155)177-108-78(118-67(13)129)98(83(134)72(50-123)157-108)167-109-93(144)99(84(135)73(51-124)158-109)168-110-95(146)101(86(137)75(53-126)159-110)170-114-106(91(142)81(132)68(46-119)163-114)174-116-104(89(140)79(130)70(48-121)165-116)172-112-94(145)100(85(136)74(52-125)161-112)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)173-113-97(148)103(176-179(149,150)151)88(139)77(55-128)162-113/h24,26,28,30,32,34,36,38,40,42,44,68-117,119-128,130-148H,14-23,25,27,29,31,33,35,37,39,41,43,45-55H2,1-13H3,(H,118,129)(H,152,153)(H,154,155)(H2,149,150,151)/b57-26+,58-28+,59-30-,60-32-,61-34-,62-36-,63-38-,64-40-,65-42-,66-44-/t68-,69-,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-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:56]([CH3:2])=[CH:24][CH2:14][CH2:25]/[C:57]([CH3:3])=[CH:26]/[CH2:15][CH2:27]/[C:58]([CH3:4])=[CH:28]/[CH2:16][CH2:29]/[C:59]([CH3:5])=[CH:30]\[CH2:17][CH2:31]/[C:60]([CH3:6])=[CH:32]\[CH2:18][CH2:33]/[C:61]([CH3:7])=[CH:34]\[CH2:19][CH2:35]/[C:62]([CH3:8])=[CH:36]\[CH2:20][CH2:37]/[C:63]([CH3:9])=[CH:38]\[CH2:21][CH2:39]/[C:64]([CH3:10])=[CH:40]\[CH2:22][CH2:41]/[C:65]([CH3:11])=[CH:42]\[CH2:23][CH2:43]/[C:66]([CH3:12])=[CH:44]\[CH2:45][O:156][P:180]([OH:152])(=[O:153])[O:178][P:181]([OH:154])(=[O:155])[O:177][C@@H:108]1[C@H:78]([N:118]=[C:67]([CH3:13])[OH:129])[C@@H:98]([O:167][C@@H:109]2[C@@H:93]([OH:144])[C@@H:99]([O:168][C@@H:110]3[C@@H:95]([OH:146])[C@@H:101]([O:170][C@@H:114]4[C@@H:106]([O:174][C@@H:116]5[C@@H:104]([O:172][C@@H:112]6[C@@H:94]([OH:145])[C@@H:100]([O:169][C@@H:111]7[C@@H:96]([OH:147])[C@@H:102]([O:171][C@@H:115]8[C@@H:107]([O:175][C@@H:117]9[C@@H:105]([O:173][C@@H:113]%10[C@@H:97]([OH:148])[C@@H:103]([O:176][P:179]([OH:149])([OH:150])=[O:151])[C@H:88]([OH:139])[C@@H:77]([CH2:55][OH:128])[O:162]%10)[C@@H:90]([OH:141])[C@H:80]([OH:131])[C@@H:71]([CH2:49][OH:122])[O:166]9)[C@@H:92]([OH:143])[C@H:82]([OH:133])[C@@H:69]([CH2:47][OH:120])[O:164]8)[C@H:87]([OH:138])[C@@H:76]([CH2:54][OH:127])[O:160]7)[C@H:85]([OH:136])[C@@H:74]([CH2:52][OH:125])[O:161]6)[C@@H:89]([OH:140])[C@H:79]([OH:130])[C@@H:70]([CH2:48][OH:121])[O:165]5)[C@@H:91]([OH:142])[C@H:81]([OH:132])[C@@H:68]([CH2:46][OH:119])[O:163]4)[C@H:86]([OH:137])[C@@H:75]([CH2:53][OH:126])[O:159]3)[C@H:84]([OH:135])[C@@H:73]([CH2:51][OH:124])[O:158]2)[C@H:83]([OH:134])[C@@H:72]([CH2:50][OH:123])[O:157]1 |
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