| Properties | Image |
|---|
| MNX_ID | MNXM1137718 |
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| reference | biggM:eca3und |
| formula | C127H198N9O52P2 |
| global charge | -5 |
| mol weight | 2744.94 |
| InChIKey | GPIOMJJQJHAZOP-UHFFFAOYSA-I |
| InChI | InChI=1S/C127H203N9O52P2/c1-60(2)35-25-36-61(3)37-26-38-62(4)39-27-40-63(5)41-28-42-64(6)43-29-44-65(7)45-30-46-66(8)47-31-48-67(9)49-32-50-68(10)51-33-52-69(11)53-34-54-70(12)55-56-169-189(165,166)188-190(167,168)187-124-94(136-82(24)148)98(152)107(85(59-139)175-124)178-123-93(135-81(23)147)101(155)112(115(186-123)118(163)164)183-127-104(158)109(88(73(15)172-127)130-76(18)142)180-120-90(132-78(20)144)97(151)106(84(58-138)174-120)177-122-92(134-80(22)146)100(154)111(114(185-122)117(161)162)182-126-103(157)108(87(72(14)171-126)129-75(17)141)179-119-89(131-77(19)143)96(150)105(83(57-137)173-119)176-121-91(133-79(21)145)99(153)110(113(184-121)116(159)160)181-125-102(156)95(149)86(71(13)170-125)128-74(16)140/h35,37,39,41,43,45,47,49,51,53,55,71-73,83-115,119-127,137-139,149-158H,25-34,36,38,40,42,44,46,48,50,52,54,56-59H2,1-24H3,(H,128,140)(H,129,141)(H,130,142)(H,131,143)(H,132,144)(H,133,145)(H,134,146)(H,135,147)(H,136,148)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)/p-5 |
| SMILES | CC(=O)NC1C(C)OC(OC2C(C(=O)[O-])OC(OC3C(CO)OC(OC4C(O)C(OC5C(C(=O)[O-])OC(OC6C(CO)OC(OC7C(O)C(OC8C(C(=O)[O-])OC(OC9C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(NC(C)=O)C9O)C(NC(C)=O)C8O)OC(C)C7NC(C)=O)C(NC(C)=O)C6O)C(NC(C)=O)C5O)OC(C)C4NC(C)=O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C127H203N9O52P2/c1-60(2)35-25-36-61(3)37-26-38-62(4)39-27-40-63(5)41-28-42-64(6)43-29-44-65(7)45-30-46-66(8)47-31-48-67(9)49-32-50-68(10)51-33-52-69(11)53-34-54-70(12)55-56-169-189(165,166)188-190(167,168)187-124-94(136-82(24)148)98(152)107(85(59-139)175-124)178-123-93(135-81(23)147)101(155)112(115(186-123)118(163)164)183-127-104(158)109(88(73(15)172-127)130-76(18)142)180-120-90(132-78(20)144)97(151)106(84(58-138)174-120)177-122-92(134-80(22)146)100(154)111(114(185-122)117(161)162)182-126-103(157)108(87(72(14)171-126)129-75(17)141)179-119-89(131-77(19)143)96(150)105(83(57-137)173-119)176-121-91(133-79(21)145)99(153)110(113(184-121)116(159)160)181-125-102(156)95(149)86(71(13)170-125)128-74(16)140/h35,37,39,41,43,45,47,49,51,53,55,71-73,83-115,119-127,137-139,149-158H,25-34,36,38,40,42,44,46,48,50,52,54,56-59H2,1-24H3,(H,128,140)(H,129,141)(H,130,142)(H,131,143)(H,132,144)(H,133,145)(H,134,146)(H,135,147)(H,136,148)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)/b61-37?,62-39?,63-41?,64-43?,65-45?,66-47?,67-49?,68-51?,69-53?,70-55?/t71?,72?,73?,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?,119?,120?,121?,122?,123?,124?,125?,126?,127? |
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| SMILES (mnx) | [CH3:1][C:60]([CH3:2])=[CH:35][CH2:25][CH2:36][C:61]([CH3:3])=[CH:37][CH2:26][CH2:38][C:62]([CH3:4])=[CH:39][CH2:27][CH2:40][C:63]([CH3:5])=[CH:41][CH2:28][CH2:42][C:64]([CH3:6])=[CH:43][CH2:29][CH2:44][C:65]([CH3:7])=[CH:45][CH2:30][CH2:46][C:66]([CH3:8])=[CH:47][CH2:31][CH2:48][C:67]([CH3:9])=[CH:49][CH2:32][CH2:50][C:68]([CH3:10])=[CH:51][CH2:33][CH2:52][C:69]([CH3:11])=[CH:53][CH2:34][CH2:54][C:70]([CH3:12])=[CH:55][CH2:56][O:169][P:189]([OH:165])(=[O:166])[O:188][P:190]([OH:167])(=[O:168])[O:187][CH:124]1[CH:94]([N:136]=[C:82]([CH3:24])[OH:148])[CH:98]([OH:152])[CH:107]([O:178][CH:123]2[CH:93]([N:135]=[C:81]([CH3:23])[OH:147])[CH:101]([OH:155])[CH:112]([O:183][CH:127]3[CH:104]([OH:158])[CH:109]([O:180][CH:120]4[CH:90]([N:132]=[C:78]([CH3:20])[OH:144])[CH:97]([OH:151])[CH:106]([O:177][CH:122]5[CH:92]([N:134]=[C:80]([CH3:22])[OH:146])[CH:100]([OH:154])[CH:111]([O:182][CH:126]6[CH:103]([OH:157])[CH:108]([O:179][CH:119]7[CH:89]([N:131]=[C:77]([CH3:19])[OH:143])[CH:96]([OH:150])[CH:105]([O:176][CH:121]8[CH:91]([N:133]=[C:79]([CH3:21])[OH:145])[CH:99]([OH:153])[CH:110]([O:181][CH:125]9[CH:102]([OH:156])[CH:95]([OH:149])[CH:86]([N:128]=[C:74]([CH3:16])[OH:140])[CH:71]([CH3:13])[O:170]9)[CH:113]([C:116](=[O:159])[OH:160])[O:184]8)[CH:83]([CH2:57][OH:137])[O:173]7)[CH:87]([N:129]=[C:75]([CH3:17])[OH:141])[CH:72]([CH3:14])[O:171]6)[CH:114]([C:117](=[O:161])[OH:162])[O:185]5)[CH:84]([CH2:58][OH:138])[O:174]4)[CH:88]([N:130]=[C:76]([CH3:18])[OH:142])[CH:73]([CH3:15])[O:172]3)[CH:115]([C:118](=[O:163])[OH:164])[O:186]2)[CH:85]([CH2:59][OH:139])[O:175]1 |
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