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

Properties Image Occurences in reactions MNX_ID MNXM2680 #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 5 formula C117H208N2O45P2 charge -6 mass 2424.866 reference chebi:61502 InChIKey HPDZKCJEWNZSML-YOZKHJKSSA-H InChI InChI=1S/C117H214N2O45P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(132)153-83(66-60-54-48-42-35-29-23-17-11-5)72-96(134)157-110-98(119-92(130)71-82(65-59-53-47-41-34-28-22-16-10-4)152-93(131)67-61-55-49-43-36-30-24-18-12-6)111(150-78-89-100(136)109(156-95(133)70-81(124)64-58-52-46-40-33-27-21-15-9-3)97(112(154-89)164-166(147,148)149)118-91(129)69-80(123)63-57-51-45-39-32-26-20-14-8-2)155-90(108(110)163-165(144,145)146)79-151-116(114(140)141)74-88(160-117(115(142)143)73-84(125)99(135)105(161-117)86(127)76-121)107(106(162-116)87(128)77-122)159-113-103(139)101(137)102(138)104(158-113)85(126)75-120/h80-90,97-113,120-128,135-139H,7-79H2,1-6H3,(H,118,129)(H,119,130)(H,140,141)(H,142,143)(H2,144,145,146)(H2,147,148,149)/p-6/t80-,81-,82-,83-,84-,85+,86-,87-,88-,89-,90-,97-,98-,99-,100-,101+,102+,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,116-,117-/m1/s1 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:94](=[O:132])[O:153][C@H:83]([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:96](=[O:134])[O:157][C@@H:110]1[C@@H:98]([N:119]=[C:92]([CH2:71][C@@H:82]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:4])[O:152][C:93]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:6])=[O:131])[OH:130])[C@H:111]([O:150][CH2:78][C@@H:89]2[C@@H:100]([OH:136])[C@H:109]([O:156][C:95]([CH2:70][C@@H:81]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:3])[OH:124])=[O:133])[C@@H:97]([N:118]=[C:91]([CH2:69][C@@H:80]([CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:32][CH2:26][CH2:20][CH2:14][CH2:8][CH3:2])[OH:123])[OH:129])[C@@H:112]([O:164][P:166]([OH:147])([OH:148])=[O:149])[O:154]2)[O:155][C@H:90]([CH2:79][O:151][C@:116]2([C:114](=[O:140])[OH:141])[CH2:74][C@@H:88]([O:160][C@:117]3([C:115](=[O:142])[OH:143])[CH2:73][C@@H:84]([OH:125])[C@@H:99]([OH:135])[C@@H:105]([C@@H:86]([CH2:76][OH:121])[OH:127])[O:161]3)[C@@H:107]([O:159][C@@H:113]3[C@@H:103]([OH:139])[C@@H:101]([OH:137])[C@H:102]([OH:138])[C@@H:104]([C@H:85]([CH2:75][OH:120])[OH:126])[O:158]3)[C@@H:106]([C@@H:87]([CH2:77][OH:122])[OH:128])[O:162]2)[C@H:108]1[O:163][P:165]([OH:144])([OH:145])=[O:146]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:61502 chebi:61502	L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A (E. coli) L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A hexaanion L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A(6-) heptosyl-(KDO)2-lipid A hexaanion heptosyl-(KDO)2-lipid A(6-)
bigg.metabolite:hlipa biggM:hlipa	Heptosyl-kdo2-lipidA
metacyc.compound:CPD0-929 metacycM:CPD0-929	alpha-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A (E. coli) Rd2 LPS heptosyl-Kdo2-lipid A (E. coli)
CHEBI:61528 chebi:61528	heptosyl-(KDO)2-lipid A 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-[L-glycero-alpha-D-manno-heptopyranosyl-(1->5)]-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A
vmhM:hlipa vmhmetabolite:hlipa	heptosyl-kdo2-lipidA
seed.compound:cpd15485 seedM:cpd15485	heptosyl-kdo2-lipidA Rd2 LPS heptosyl-Kdo2-lipid A hlipa
biggM:M_hlipa seedM:M_cpd15485	secondary/obsolete/fantasy identifier