(Q27137206)

[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-[beta-D-glucosyl-(1->3)]-[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (English)

7 October 2016

chemical formula

C₁₁₁H₁₈₃N₇O₄₁P₂

1 reference

[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-[beta-D-glucosyl-(1->3)]-[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)NC(=O)C)O)NC(=O)C)OC7C(C(C(C(O7)CO)O)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)NC(=O)C

1 reference

[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-[beta-D-glucosyl-(1->3)]-[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (English)

InChI=1S/C111H183N7O41P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)51-52-144-160(140,141)159-161(142,143)158-110-89(117-76(19)130)103(84(70(13)145-110)112-71(14)125)156-108-88(116-75(18)129)96(137)100(81(56-122)150-108)153-106-86(114-73(16)127)94(135)101(82(57-123)148-106)154-109-90(118-77(20)131)104(157-111-98(139)97(138)92(133)79(54-120)147-111)102(83(58-124)151-109)155-107-87(115-74(17)128)95(136)99(80(55-121)149-107)152-105-85(113-72(15)126)93(134)91(132)78(53-119)146-105/h31,33,35,37,39,41,43,45,47,49,51,70,78-111,119-124,132-139H,21-30,32,34,36,38,40,42,44,46,48,50,52-58H2,1-20H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,130)(H,118,131)(H,140,141)(H,142,143)

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

UNWLHBGOABGYBQ-KHDDIPDUSA-N

2 references

[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-[beta-D-glucosyl-(1->3)]-[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2 (English)

7 October 2016

2 references

[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-[beta-D-glucosyl-(1->3)]-[N-acetyl-alpha-D-galactosaminyl-(1->4)]2-N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (English)

matched by identifier from

7 October 2016

InChIKey

UNWLHBGOABGYBQ-KHDDIPDUSA-N

ChEBI ID

68831

mapping relation type

1 reference