| Properties | Image |
|---|
| MNX_ID | MNXM740231 |
 |
| reference | biggM:murein5p5p5p |
| formula | C120H186N24O63 |
| global charge | -6 |
| mol weight | 2972.913 |
| InChIKey | FOZGDVCGOFWZKF-UHFFFAOYSA-H |
| InChI | InChI=1S/C120H192N24O63/c1-41(95(167)130-47(7)110(182)183)127-104(176)62(25-19-22-59(121)113(188)189)142-107(179)65(28-31-75(157)158)139-98(170)44(4)124-101(173)50(10)195-87-68(133-53(13)151)40-194-70(35-146)90(87)205-117-79(135-55(15)153)85(165)88(71(36-147)199-117)203-120-82(138-58(18)156)94(197-52(12)103(175)126-46(6)100(172)141-67(30-33-77(161)162)109(181)144-64(27-21-24-61(123)115(192)193)106(178)129-43(3)97(169)132-49(9)112(186)187)92(74(39-150)202-120)207-118-80(136-56(16)154)86(166)89(72(37-148)200-118)204-119-81(137-57(17)155)93(91(73(38-149)201-119)206-116-78(134-54(14)152)84(164)83(163)69(34-145)198-116)196-51(11)102(174)125-45(5)99(171)140-66(29-32-76(159)160)108(180)143-63(26-20-23-60(122)114(190)191)105(177)128-42(2)96(168)131-48(8)111(184)185/h40-52,59-67,69-74,78-94,116-120,145-150,163-166H,19-39,121-123H2,1-18H3,(H,124,173)(H,125,174)(H,126,175)(H,127,176)(H,128,177)(H,129,178)(H,130,167)(H,131,168)(H,132,169)(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,170)(H,140,171)(H,141,172)(H,142,179)(H,143,180)(H,144,181)(H,157,158)(H,159,160)(H,161,162)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)/p-6 |
| SMILES | CC(=O)NC1=COC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)NC(C)C(=O)NC(C)C(=O)[O-])C5NC(C)=O)C(O)C4NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)NC(C)C(=O)NC(C)C(=O)[O-])C3NC(C)=O)C(O)C2NC(C)=O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)NC(C)C(=O)NC(C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C120H192N24O63/c1-41(95(167)130-47(7)110(182)183)127-104(176)62(25-19-22-59(121)113(188)189)142-107(179)65(28-31-75(157)158)139-98(170)44(4)124-101(173)50(10)195-87-68(133-53(13)151)40-194-70(35-146)90(87)205-117-79(135-55(15)153)85(165)88(71(36-147)199-117)203-120-82(138-58(18)156)94(197-52(12)103(175)126-46(6)100(172)141-67(30-33-77(161)162)109(181)144-64(27-21-24-61(123)115(192)193)106(178)129-43(3)97(169)132-49(9)112(186)187)92(74(39-150)202-120)207-118-80(136-56(16)154)86(166)89(72(37-148)200-118)204-119-81(137-57(17)155)93(91(73(38-149)201-119)206-116-78(134-54(14)152)84(164)83(163)69(34-145)198-116)196-51(11)102(174)125-45(5)99(171)140-66(29-32-76(159)160)108(180)143-63(26-20-23-60(122)114(190)191)105(177)128-42(2)96(168)131-48(8)111(184)185/h40-52,59-67,69-74,78-94,116-120,145-150,163-166H,19-39,121-123H2,1-18H3,(H,124,173)(H,125,174)(H,126,175)(H,127,176)(H,128,177)(H,129,178)(H,130,167)(H,131,168)(H,132,169)(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,170)(H,140,171)(H,141,172)(H,142,179)(H,143,180)(H,144,181)(H,157,158)(H,159,160)(H,161,162)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,59?,60?,61?,62?,63?,64?,65?,66?,67?,69?,70?,71?,72?,73?,74?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,116?,117?,118?,119?,120? |
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| SMILES (mnx) | [CH3:1][CH:41]([C:95](=[N:130][CH:47]([CH3:7])[C:110](=[O:182])[OH:183])[OH:167])[N:127]=[C:104]([CH:62]([CH2:25][CH2:19][CH2:22][CH:59]([C:113](=[O:188])[OH:189])[NH2:121])[N:142]=[C:107]([CH:65]([CH2:28][CH2:31][C:75](=[O:157])[OH:158])[N:139]=[C:98]([CH:44]([CH3:4])[N:124]=[C:101]([CH:50]([CH3:10])[O:195][CH:87]1[C:68]([N:133]=[C:53]([CH3:13])[OH:151])=[CH:40][O:194][CH:70]([CH2:35][OH:146])[CH:90]1[O:205][CH:117]1[CH:79]([N:135]=[C:55]([CH3:15])[OH:153])[CH:85]([OH:165])[CH:88]([O:203][CH:120]2[CH:82]([N:138]=[C:58]([CH3:18])[OH:156])[CH:94]([O:197][CH:52]([CH3:12])[C:103](=[N:126][CH:46]([CH3:6])[C:100](=[N:141][CH:67]([CH2:30][CH2:33][C:77](=[O:161])[OH:162])[C:109](=[N:144][CH:64]([CH2:27][CH2:21][CH2:24][CH:61]([C:115](=[O:192])[OH:193])[NH2:123])[C:106](=[N:129][CH:43]([CH3:3])[C:97](=[N:132][CH:49]([CH3:9])[C:112](=[O:186])[OH:187])[OH:169])[OH:178])[OH:181])[OH:172])[OH:175])[CH:92]([O:207][CH:118]3[CH:80]([N:136]=[C:56]([CH3:16])[OH:154])[CH:86]([OH:166])[CH:89]([O:204][CH:119]4[CH:81]([N:137]=[C:57]([CH3:17])[OH:155])[CH:93]([O:196][CH:51]([CH3:11])[C:102](=[N:125][CH:45]([CH3:5])[C:99](=[N:140][CH:66]([CH2:29][CH2:32][C:76](=[O:159])[OH:160])[C:108](=[N:143][CH:63]([CH2:26][CH2:20][CH2:23][CH:60]([C:114](=[O:190])[OH:191])[NH2:122])[C:105](=[N:128][CH:42]([CH3:2])[C:96](=[N:131][CH:48]([CH3:8])[C:111](=[O:184])[OH:185])[OH:168])[OH:177])[OH:180])[OH:171])[OH:174])[CH:91]([O:206][CH:116]5[CH:78]([N:134]=[C:54]([CH3:14])[OH:152])[CH:84]([OH:164])[CH:83]([OH:163])[CH:69]([CH2:34][OH:145])[O:198]5)[CH:73]([CH2:38][OH:149])[O:201]4)[CH:72]([CH2:37][OH:148])[O:200]3)[CH:74]([CH2:39][OH:150])[O:202]2)[CH:71]([CH2:36][OH:147])[O:199]1)[OH:173])[OH:170])[OH:179])[OH:176] |
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