lipid A disaccharide (E. coli)

Chemical Formula:

C₆₈H₁₂₇N₂O₂₀P

Molecular Weight:

1323.726 Daltons

Monoisotopic Mass:

1324.8876311033 Daltons

SMILES:

CCCCCCCCCCCC(CC(=O)NC1(C(OC(CO)C(C1OC(=O)CC(O)CCCCCCCCCCC)O)OCC2(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP([O-])([O-])=O)O2)))O

InChI:

1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/p-2/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1

InChIKey:

HLDJGHAAKRKPAV-QDORLFPLSA-L

Synonyms

2,3-bis-(3-hydroxytetradecanoyl)-β-D-glucosaminyl-(β-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1-phosphate
2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxymyristoyl)-α-D-glucosaminyl 1-phosphate
2'-3'-diacyl-GlcN(β-1'-6)2,3-diacyl-GlcN-1-P
2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-α-D-glucosamine 1-phosphate
2,3-bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxytetradecanoyl)-α-D-glucosaminyl 1-phosphate
[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl]-(1 -> 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-α-D-glucosaminyl phosphate]
tetraacyldisaccharide-1-phosphate

Databases

MetaCyc: BISOHMYR-GLC

BiGG: lipidAds

ChEBI: 58466

PubChem (CID): 25244866

KEGG: C04932

Seed: cpd03002

MetaNetX: MNXM1569