lipid IV_A

Chemical Formula:

C₆₈H₁₂₆N₂O₂₃P₂

Molecular Weight:

1401.69 Daltons

Monoisotopic Mass:

1404.8539615117002 Daltons

SMILES:

CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)1)COC2(OC(CO)C(C(C2NC(CC(O)CCCCCCCCCCC)=O)OC(=O)CC(O)CCCCCCCCCCC)OP([O-])([O-])=O))

InChI:

1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/p-4/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1

InChIKey:

KVJWZTLXIROHIL-QDORLFPLSA-J

Synonyms

2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose

Databases

MetaCyc: LIPID-IV-A

BiGG: lipidA

ChemSpider: 8504584

ChEBI: 58603

PubChem (CID): 10329123

KEGG: C04919

Seed: cpd02993

MetaNetX: MNXM1754

3DMET: B05159

lipid IVA

lipid IV_A