Feedback

(enterobacterial common antigen)x4 core oligosaccharide lipid A

MNXM91786 is deprecated and here replaced by MNXM741410
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM741410Image of MNXM741410
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
formulaC272H451N14O160P4
charge-11
mass6597.65955
referencebiggM:eca4colipa
InChIKeyPYQYBNKUBWCRNY-UHFFFAOYSA-C
InChIInChI=1S/C272H462N14O160P4/c1-24-30-36-42-48-54-55-61-67-73-79-85-154(323)400-130(83-77-71-65-59-52-46-40-34-28-5)89-156(325)412-225-170(286-152(321)88-129(82-76-70-64-58-51-45-39-33-27-4)399-153(322)84-78-72-66-60-53-47-41-35-29-6)245(390-107-148-176(331)224(411-155(324)87-128(311)81-75-69-63-57-50-44-38-32-26-3)169(253(407-148)446-450(385,386)387)285-151(320)86-127(310)80-74-68-62-56-49-43-37-31-25-2)410-150(220(225)443-447(376,377)378)109-393-270(267(370)371)91-139(439-272(269(374)375)92-140(438-271(268(372)373)90-131(312)172(327)209(440-271)133(314)94-288)219(213(442-272)136(317)97-291)421-258-199(354)187(342)171(326)114(11)398-258)218(212(441-270)135(316)96-290)422-264-205(360)231(234(444-448(379,380)381)210(415-264)134(315)95-289)432-265-206(361)232(235(445-449(382,383)384)211(416-265)138(319)105-389-255-197(352)190(345)193(348)207(413-255)132(313)93-287)431-263-204(359)226(177(332)149(409-263)108-391-254-196(351)188(343)173(328)141(98-292)401-254)426-266-233(192(347)174(329)142(99-293)402-266)433-259-200(355)189(344)175(330)147(408-259)106-392-256-198(353)191(346)194(349)208(414-256)137(318)104-388-244-161(277-119(16)302)179(334)214(143(100-294)403-244)417-249-166(282-124(21)307)184(339)228(237(435-249)241(364)365)428-260-201(356)221(158(111(8)395-260)274-116(13)299)424-247-163(279-121(18)304)181(336)216(145(102-296)405-247)419-251-168(284-126(23)309)186(341)230(239(437-251)243(368)369)430-262-203(358)223(160(113(10)397-262)276-118(15)301)425-248-164(280-122(19)305)182(337)217(146(103-297)406-248)420-252-167(283-125(22)308)185(340)229(238(436-252)242(366)367)429-261-202(357)222(159(112(9)396-261)275-117(14)300)423-246-162(278-120(17)303)180(335)215(144(101-295)404-246)418-250-165(281-123(20)306)183(338)227(236(434-250)240(362)363)427-257-195(350)178(333)157(110(7)394-257)273-115(12)298/h110-114,127-150,157-239,244-266,287-297,310-319,326-361H,24-109H2,1-23H3,(H,273,298)(H,274,299)(H,275,300)(H,276,301)(H,277,302)(H,278,303)(H,279,304)(H,280,305)(H,281,306)(H,282,307)(H,283,308)(H,284,309)(H,285,320)(H,286,321)(H,362,363)(H,364,365)(H,366,367)(H,368,369)(H,370,371)(H,372,373)(H,374,375)(H2,376,377,378)(H2,379,380,381)(H2,382,383,384)(H2,385,386,387)/p-11
SMILESCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(OP(=O)([O-])O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2O)OC(COC2(C(=O)[O-])CC(OC3(C(=O)[O-])CC(OC4(C(=O)[O-])CC(O)C(O)C(C(O)CO)O4)C(OC4OC(C)C(O)C(O)C4O)C(C(O)CO)O3)C(OC3OC(C(O)CO)C(OP(=O)([O-])O)C(OC4OC(C(O)COC5OC(C(O)CO)C(O)C(O)C5O)C(OP(=O)([O-])O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(COC7OC(C(O)COC8OC(CO)C(OC9OC(C(=O)[O-])C(OC%10OC(C)C(NC(C)=O)C(OC%11OC(CO)C(OC%12OC(C(=O)[O-])C(OC%13OC(C)C(NC(C)=O)C(OC%14OC(CO)C(OC%15OC(C(=O)[O-])C(OC%16OC(C)C(NC(C)=O)C(OC%17OC(CO)C(OC%18OC(C(=O)[O-])C(OC%19OC(C)C(NC(C)=O)C(O)C%19O)C(O)C%18NC(C)=O)C(O)C%17NC(C)=O)C%16O)C(O)C%15NC(C)=O)C(O)C%14NC(C)=O)C%13O)C(O)C%12NC(C)=O)C(O)C%11NC(C)=O)C%10O)C(O)C9NC(C)=O)C(O)C8NC(C)=O)C(O)C(O)C7O)C(O)C(O)C6O)C5O)C4O)C3O)C(C(O)CO)O2)C1OP(=O)([O-])O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:eca4colipa
biggM:eca4colipa
(enterobacterial common antigen)x4 core oligosaccharide lipid A
biggM:M_eca4colipa secondary/obsolete/fantasy identifier