DEGLUCOBALHIMYCIN (CHEBI:47374)

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CHEBI:47374 - DEGLUCOBALHIMYCIN

ChEBI ID	CHEBI:47374
ChEBI Name	DEGLUCOBALHIMYCIN
Stars
Downloads	Molfile

Formula	C60H65Cl2N9O20
Net Charge	0
Average Mass	1303.129
Monoisotopic Mass	1301.37229
SMILES	[H]OC(=O)[C@]1([H])c2c([H])c(O[H])c([H])c(O[H])c2-c2c([H])c(c([H])c([H])c2O[H])[C@]2([H])C(=O)N([H])[C@]([H])(C(=O)N1[H])[C@]([H])(O[C@]1([H])O[C@@]([H])(C([H])([H])[H])C(O[H])(O[H])[C@](N([H])[H])(C([H])([H])[H])C1([H])[H])c1c([H])c([H])c(c(Cl)c1[H])Oc1c([H])c3c([H])c(c1O[H])Oc1c([H])c([H])c(c([H])c1Cl)[C@@]([H])(O[H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C([H])([H])C(=O)N([H])[H])C(=O)N([H])[C@@]3([H])C(=O)N2[H]
InChI	InChI=1S/C60H65Cl2N9O20/c1-22(2)12-33(65-5)52(78)70-47-49(76)25-7-10-37(31(61)14-25)89-39-16-27-17-40(50(39)77)90-38-11-8-26(15-32(38)62)51(91-42-21-59(4,64)60(86,87)23(3)88-42)48-57(83)69-46(58(84)85)30-18-28(72)19-36(74)43(30)29-13-24(6-9-35(29)73)44(54(80)71-48)68-55(81)45(27)67-53(79)34(20-41(63)75)66-56(47)82/h6-11,13-19,22-23,33-34,42,44-49,51,65,72-74,76-77,86-87H,12,20-21,64H2,1-5H3,(H2,63,75)(H,66,82)(H,67,79)(H,68,81)(H,69,83)(H,70,78)(H,71,80)(H,84,85)/t23-,33+,34-,42-,44+,45+,46-,47+,48-,49+,51+,59-/m0/s1
InChIKey	ABWSMPORYONAHZ-LTAUCOGHSA-N

ChEBI Ontology

Outgoing Relation(s)
	DEGLUCOBALHIMYCIN (CHEBI:47374) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,6S)-4-amino-5,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37,48-pentahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name)	PDBeChem
DEGLUCOBALHIMYCIN	PDBeChem

Synonyms

Source

(1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,6S)-4-amino-5,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37,48-pentahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name)

PDBeChem

DEGLUCOBALHIMYCIN

PDBeChem

Manual Xrefs	Databases
DBL	PDBeChem