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Compounds

COMPOUND NPA004786

STRUCTURE

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PROPERTIES

NPAID	NPA004786
CLUSTER ID	2429
NODE ID	1909
NAME	Trehalose-6,6'-dicorynomycolate
FORMULA	C76H146O15
MOLECULAR WEIGHT (Da)	1299.9890
ACCURATE MASS (Da)	1299.0662
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Corynebacterium
ORIGIN SPECIES	matruchotii
InChIKey	LFRXCNXVZHVRSE-JEZACWOJSA-N
InChI	InChI=1S/C76H146O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h61-72,75-84H,5-60H2,1-4H3/t61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1
SMILES	CCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)[C@H](CCCCCCCCCCCCCC)[C@@H](CCCCCCCCCCCCCCC)O)O)O)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Datta, A K; Takayama, K Isolation and purification of trehalose 6-mono- and 6,6'-di-corynomycolates from Corynebacterium matruchotii. Structural characterization by 1H NMR Carbohydrate Research 1993 245 (1) 151-158.
DOI	10.1016/0008-6215(93)80068-p	PMID	8358747

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Corynebacteriales	LPSN	85007
Family	Corynebacteriaceae	LPSN	1653
Genus	Corynebacterium	LPSN	1716

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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