PubChemLite - 103530-99-0 (C110H207N2O23P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@H](CCCCCCCCCCC)O

InChI

InChI=1S/C110H207N2O23P/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-81-98(117)128-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(133-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(131-109(103)123)89-127-110-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)129-99(118)82-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)132-110)135-136(124,125)126)134-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)130-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122-123H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,124,125,126)/t90-,91-,92-,93-,94+,95+,103+,104+,105+,106+,107+,108+,109-,110+/m0/s1

InChIKey

AJTUNRJTNFESSC-DPBDWXOKSA-N

Compound name

[(3S)-1-[[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3S)-3-tetradecanoyloxytetradecanoyl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(3S)-3-hydroxytetradecanoyl]oxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate

Related CIDs

Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1956.4901	453.5
[M+Na]+	1978.4720	448.8
[M-H]-	1954.4755	458.6
[M+NH4]+	1973.5166	452.1
[M+K]+	1994.4460	434.8
[M+H-H2O]+	1938.4801	435.4
[M+HCOO]-	2000.4810	449.1
[M+CH3COO]-	2014.4967	435.9
[M+Na-2H]-	1976.4575	488.9
[M]+	1955.4823	456.5
[M]-	1955.4833	456.5

103530-99-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe