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name Structure Reference Source Properties Activities Metabolism

{4-[(2R)-2-[(3R,6S,9R,11S,15R,18S,20R,21S,24S,25R)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-18-hexadecanamido-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0⁹,¹³]heptacosan-6-yl]-2-hydroxyethyl]-

AlkaPlorer ID: AK240283

Synonym: None

IUPAC Name: [4-[(2R)-2-[(3R,6S,9R,11S,15R,18S,20R,21S,24S,25R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate

Structure

SMILES: CCCCCCCCCCCCCCCC(O)=N[C@H]1C[C@@H](O)[C@H](O)N=C(O)[C@@H]2[C@H](O)CCN2C(=O)[C@@H]([C@H](O)CC(=N)O)N=C(O)[C@H]([C@H](O)CC2=CC=C(OS(=O)(=O)O)C(O)=C2)N=C(O)[C@H]2C[C@H](O)CN2C(=O)[C@@H]([C@H](C)O)N=C1O

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InChI: InChI=1S/C50H80N8O20S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(67)52-30-24-36(65)46(70)56-48(72)43-32(61)19-20-57(43)50(74)42(35(64)25-38(51)66)55-47(71)41(34(63)22-28-17-18-37(33(62)21-28)78-79(75,76)77)54-45(69)31-23-29(60)26-58(31)49(73)40(27(2)59)53-44(30)68/h17-18,21,27,29-32,34-36,40-43,46,59-65,70H,3-16,19-20,22-26H2,1-2H3,(H2,51,66)(H,52,67)(H,53,68)(H,54,69)(H,55,71)(H,56,72)(H,75,76,77)/t27-,29-,30-,31+,32+,34+,35+,36+,40+,41-,42+,43-,46-/m0/s1

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InChIKey: CPKSKRPKSGGWCW-SGOKZTLPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Coleophoma empetri Coleophoma Dermateaceae Helotiales Leotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1145.2930000000003

TPSA？: 473.0900000000001

MolLogP？: 1.889070000000009

Number of H-Donors: 16

Number of H-Acceptors: 19

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information