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alpha-Hep-(1->3)-alpha-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A (E. coli)

PropertiesImageOccurences in reactions
MNX_IDMNXM1364692Image of MNXM1364692
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 3
formulaC124H220N2O51P2
charge-6
mass2617.033
referencemetacycM:CPD0-930
InChIKeyHHPCMWTVGVTYIC-UHFFFAOYSA-H
InChIInChI=1S/C124H226N2O51P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-96(141)164-84(66-60-54-48-42-35-29-23-17-11-5)72-98(143)168-115-100(126-94(139)71-83(65-59-53-47-41-34-28-22-16-10-4)163-95(140)67-61-55-49-43-36-30-24-18-12-6)117(161-79-91-102(145)114(167-97(142)70-82(132)64-58-52-46-40-33-27-21-15-9-3)99(118(165-91)177-179(158,159)160)125-93(138)69-81(131)63-57-51-45-39-32-26-20-14-8-2)166-92(113(115)176-178(155,156)157)80-162-123(121(151)152)74-90(173-124(122(153)154)73-85(133)101(144)110(174-124)88(136)77-129)112(111(175-123)89(137)78-130)171-120-107(150)116(106(149)109(170-120)87(135)76-128)172-119-105(148)103(146)104(147)108(169-119)86(134)75-127/h81-92,99-120,127-137,144-150H,7-80H2,1-6H3,(H,125,138)(H,126,139)(H,151,152)(H,153,154)(H2,155,156,157)(H2,158,159,160)/p-6
SMILES[CH3:1][CH2:7][CH2:13][CH2:19][CH2:25][CH2:31][CH2:37][CH2:38][CH2:44][CH2:50][CH2:56][CH2:62][CH2:68][C:96](=[O:141])[O:164][CH:84]([CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:35][CH2:29][CH2:23][CH2:17][CH2:11][CH3:5])[CH2:72][C:98](=[O:143])[O:168][CH:115]1[CH:100]([N:126]=[C:94]([CH2:71][CH:83]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:4])[O:163][C:95]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:6])=[O:140])[OH:139])[CH:117]([O:161][CH2:79][CH:91]2[CH:102]([OH:145])[CH:114]([O:167][C:97]([CH2:70][CH:82]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:3])[OH:132])=[O:142])[CH:99]([N:125]=[C:93]([CH2:69][CH:81]([CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:32][CH2:26][CH2:20][CH2:14][CH2:8][CH3:2])[OH:131])[OH:138])[CH:118]([O:177][P:179]([OH:158])([OH:159])=[O:160])[O:165]2)[O:166][CH:92]([CH2:80][O:162][C:123]2([C:121](=[O:151])[OH:152])[CH2:74][CH:90]([O:173][C:124]3([C:122](=[O:153])[OH:154])[CH2:73][CH:85]([OH:133])[CH:101]([OH:144])[CH:110]([CH:88]([CH2:77][OH:129])[OH:136])[O:174]3)[CH:112]([O:171][CH:120]3[CH:107]([OH:150])[CH:116]([O:172][CH:119]4[CH:105]([OH:148])[CH:103]([OH:146])[CH:104]([OH:147])[CH:108]([CH:86]([CH2:75][OH:127])[OH:134])[O:169]4)[CH:106]([OH:149])[CH:109]([CH:87]([CH2:76][OH:128])[OH:135])[O:170]3)[CH:111]([CH:89]([CH2:78][OH:130])[OH:137])[O:175]2)[CH:113]1[O:176][P:178]([OH:155])([OH:156])=[O:157]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD0-930
metacycM:CPD0-930 		alpha-Hep-(1->3)-alpha-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A (E. coli)
(heptosyl)2-Kdo2-lipid A (E. coli)
Rd1 LPS
heptosyl-heptosyl-Kdo2-lipidA (E. coli)
heptosyl2-Kdo2-lipid A (E. coli)
bigg.metabolite:hhlipa
biggM:hhlipa 		Heptosyl-heptosyl-kdo2-lipidA
vmhM:hhlipa
vmhmetabolite:hhlipa 		heptosyl-heptosyl-kdo2-lipidA
biggM:M_hhlipa secondary/obsolete/fantasy identifier