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Compounds

COMPOUND NPA031398

STRUCTURE

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PROPERTIES

NPAID	NPA031398
CLUSTER ID	178
NODE ID	166
NAME	(3β,22S,30R,31R,32R,33S,34S)-35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol
FORMULA	C36H65NO5
MOLECULAR WEIGHT (Da)	591.9180
ACCURATE MASS (Da)	591.4863
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Methylocaldum
ORIGIN SPECIES	sp.
InChIKey	NYINOFIIAOPILH-HVGYHSOBSA-N
InChI	InChI=1S/C36H65NO5/c1-20-11-15-34(6)25(32(20,3)4)14-18-36(8)27(34)10-9-26-33(5)16-12-22(23(33)13-17-35(26,36)7)21(2)28(39)30(41)31(42)29(40)24(38)19-37/h20-31,38-42H,9-19,37H2,1-8H3/t20?,21?,22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,33+,34+,35-,36-/m1/s1
SMILES	CC([C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(C)C(C)(C)[C@@H]3CC[C@]21C)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN

ORIGINAL ISOLATION REFERENCE

CITATION	Jelena H. Cvejic, Levente Bodrossy, Kornél L. Kovács, Michel Rohmer Bacterial triterpenoids of the hopane series from the methanotrophic bacteria Methylocaldum spp.: phylogenetic implications and first evidence for an unsaturated aminobacteriohopanepolyol. FEMS Microbiology Letters 2000 182 (2) 361-365.
DOI	10.1111/j.1574-6968.2000.tb08922.x	PMID	10620693

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Methylococcales	LPSN	135618
Family	Methylococcaceae	LPSN	403
Genus	Methylocaldum	LPSN	73778

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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