35-Amino-30,31,32,33,34-bacteriohopanepentol; (28S,30R,31R,32R,33S,34S)-form, 30-Deoxy 

AlkaPlorer ID: AK284246

Synonym: 35-Amino-31,32,33,34-bacteriohopanetetrol

IUPAC Name: 7-(5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl)-1-aminooctane-2,3,4,5-tetrol

Structure

SMILES: CC(CC(O)C(O)C(O)C(O)CN)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

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InChI: InChI=1S/C35H63NO4/c1-21(19-24(37)29(39)30(40)25(38)20-36)22-11-16-32(4)23(22)12-17-34(6)27(32)9-10-28-33(5)15-8-14-31(2,3)26(33)13-18-35(28,34)7/h21-30,37-40H,8-20,36H2,1-7H3

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InChIKey: DHHKTEPKISBNFR-UHFFFAOYSA-N

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Reference

PubChem CID: 14864145

COCONUT: CNP0236642.3

Properties Information

Molecule Weight: 561.8920000000003

TPSA: 106.94

MolLogP: 5.906400000000005

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information