Navigation

name Structure Reference Source Properties Activities Metabolism

Concentricolide

AlkaPlorer ID: AK040853

Synonym: None

IUPAC Name: N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexadecanamide

Structure

SMILES: CCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

copy

InChI: InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36-37,39H,3-30H2,1-2H3,(H,35,38)/t31-,32+,34-/m0/s1

copy

InChIKey: IVBULNXGVIHEKN-MVIDNBQJSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Daldinia concentrica Daldinia Hypoxylaceae Xylariales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 555.9290000000003

TPSA？: 93.28000000000002

MolLogP？: 9.598100000000002

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004234 CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(C)=O.CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC>>CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCCN)[C@H](O)[C@H](O)CCCCCCCCCCCCCC 42144
AKRT004245 CC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(C)=O.CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC>>CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCCCCC 42140
AKRT008913 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC>>CCCCCCCCCCCCCCCC(=O)O 33755
AKRT008914 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC>>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO 33755
AKRT009057 CCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC 64008