(Q27126593)

E. coli R1 OS 1 core (English)

6 October 2016

chemical formula

C₇₉H₁₃₈N₂O₇₈P₄

1 reference

E. coli R1 OS 1 core (English)

6 October 2016

canonical SMILES

C1C(C(C(OC1(C(=O)O)OC2CC(OC(C2OC3C(C(C(C(O3)C(CO)O)OP(=O)(O)O)OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)(O)O)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)C(CO)O)(C(=O)O)OCC1C(C(C(C(O1)OCC1C(C(C(C(O1)OP(=O)(O)O)N)O)O)N)O)OP(=O)(O)O)C(CO)O)O)O

1 reference

E. coli R1 OS 1 core (English)

InChI=1S/C79H138N2O78P4/c80-29-38(104)35(101)27(141-67(29)159-163(130,131)132)13-134-66-30(81)39(105)56(156-160(121,122)123)28(142-66)14-135-78(76(117)118)2-21(153-79(77(119)120)1-15(91)31(97)52(154-79)17(93)4-83)57(55(155-78)19(95)6-85)146-72-49(115)60(63(157-161(124,125)126)53(144-72)18(94)5-84)150-73-50(116)61(64(158-162(127,128)129)54(145-73)20(96)12-133-68-45(111)42(108)44(110)51(143-68)16(92)3-82)149-71-48(114)58(36(102)25(10-89)138-71)147-75-65(59(37(103)26(11-90)140-75)148-69-46(112)40(106)32(98)22(7-86)136-69)152-74-62(43(109)34(100)24(9-88)139-74)151-70-47(113)41(107)33(99)23(8-87)137-70/h15-75,82-116H,1-14,80-81H2,(H,117,118)(H,119,120)(H2,121,122,123)(H2,124,125,126)(H2,127,128,129)(H2,130,131,132)

6 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

BHLHOMHGPUEVGI-HWBUVGAXSA-N

2 references

E. coli R1 OS 1 core (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6R)-3-Deoxy-6-[(1R)-1,2-dihydroxyethyl]-beta-L-erythro-hex-2-ulopyranonosyl-(2->4)-[alpha-D-galactopyranosyl-(1->2)-alpha-D-galactopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-D-glucopyranos (English)

6 October 2016

2 references