(Q27126689)

beta-D-mannopyranosyl 4,8,12,16,20-pentamethylheptacosyl hydrogen phosphate (English)

6 October 2016

chemical formula

C₃₈H₇₇O₉P

1 reference

beta-D-mannopyranosyl 4,8,12,16,20-pentamethylheptacosyl hydrogen phosphate (English)

6 October 2016

canonical SMILES

CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O

1 reference

beta-D-mannopyranosyl 4,8,12,16,20-pentamethylheptacosyl hydrogen phosphate (English)

6 October 2016

isomeric SMILES

CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

1 reference

beta-D-mannopyranosyl 4,8,12,16,20-pentamethylheptacosyl hydrogen phosphate (English)

InChI=1S/C38H77O9P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-45-48(43,44)47-38-37(42)36(41)35(40)34(28-39)46-38/h29-42H,7-28H2,1-6H3,(H,43,44)/t29?,30?,31?,32?,33?,34-,35-,36+,37+,38+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

beta-D-mannopyranosyl 4,8,12,16,20-pentamethylheptacosyl hydrogen phosphate (English)

BWDAWKXFHWFXEQ-WNTWSFONSA-N

6 October 2016

InChIKey

2 references

beta-D-mannopyranosyl 4,8,12,16,20-pentamethylheptacosyl hydrogen phosphate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-O-{Hydroxy[(4,8,12,16,20-pentamethylheptacosyl)oxy]phosphoryl}-beta-D-mannopyranose (English)

6 October 2016

1 reference

beta-D-mannopyranosyl 4,8,12,16,20-pentamethylheptacosyl hydrogen phosphate (English)

6 October 2016

ChEBI ID

59413

mapping relation type

1 reference