Molecule

UNPD44562

AlkaPlorer ID: AK553229

Synonym: None

IUPAC Name: N-[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)-2,3,4-trihydroxyoctyl]hexadec-9-enamide

Structure

SMILES: CCCCCCC=CCCCCCCCC(O)=NCC(O)C(O)C(O)CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

InChI: InChI=1S/C51H91NO4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-23-45(55)52-36-41(54)46(56)40(53)25-24-37(2)38-28-33-48(5)39(38)29-34-50(7)43(48)26-27-44-49(6)32-22-31-47(3,4)42(49)30-35-51(44,50)8/h14-15,37-44,46,53-54,56H,9-13,16-36H2,1-8H3,(H,52,55)

InChIKey: VVUXSAGBXAXMMD-UHFFFAOYSA-N

Reference

Novel bacterial triterpenoids of the hopane series from Nitrosomonas europaea and their significance for the formation of the C35 bacteriohopane skeleton

PubChem CID: 162979322

LOTUS: LTS0111827

COCONUT: CNP0251393.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nitrosomonas europaea	Nitrosomonas	Nitrosomonadaceae	Nitrosomonadales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 782.2919999999995

TPSA？: 93.28000000000002

MolLogP？: 13.19069999999998

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi