Vancoresmycin (CHEBI:213208)

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CHEBI:213208 - Vancoresmycin

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ChEBI ID	CHEBI:213208
ChEBI Name	Vancoresmycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C71H126N2O21
Net Charge	0
Average Mass	1343.782
Monoisotopic Mass	1342.88531
SMILES	C/C(=C\C(O)C(O)CC(O)CC(O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)C(=O)C(C)/C=C(\C)C(O)C(C)C(O)CCCC(O)C(C)C(O)C(C)CCC(O)CC(O)C/C=C(\C)C(O)=C1C(=O)/C(=C/C(C)C)N(C)C1=O
InChI	InChI=1S/C71H126N2O21/c1-35(2)28-53-68(90)59(70(92)73(53)16)66(88)40(8)23-27-51(77)32-49(75)25-21-38(6)63(85)44(12)54(79)18-17-19-55(80)45(13)65(87)42(10)29-41(9)62(84)43(11)30-56(81)57(82)33-52(78)34-58(94-71-69(91)60(72)67(89)47(15)93-71)37(5)20-24-48(74)31-50(76)26-22-39(7)64(86)46(14)61(83)36(3)4/h23,28-30,35-39,41,44-52,54-58,60-61,63-65,67,69,71,74-83,85-89,91H,17-22,24-27,31-34,72H2,1-16H3/b40-23+,42-29+,43-30+,53-28-,66-59?/t37?,38?,39?,41?,44?,45?,46?,47-,48?,49?,50?,51?,52?,54?,55?,56?,57?,58?,60+,61?,63?,64?,65?,67-,69+,71+/m1/s1
InChIKey	WCDOBTPUEHJQDH-UMMXVNCFSA-N

Species of Metabolite	Component	Source	Comments
Amycolatopsis (ncbitaxon:1813)	-	DOI (10.1016/s0040-4039(01)02171-2)

ChEBI Ontology

Outgoing Relation(s)
	Vancoresmycin (CHEBI:213208) is a aminoglycoside (CHEBI:47779)

IUPAC Name
(5Z)-3-[(2E,20E,24E)-31-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,5,7,11,13,17,19,26,27,29,35,37,41,43-tetradecahydroxy-2,10,12,18,20,22,24,32,40,42,44-undecamethyl-23-oxopentatetraconta-2,20,24-trienylidene]-1-methyl-5-(2-methylpropylidene)pyrrolidine-2,4-dione

Manual Xrefs	Databases
78445346	ChemSpider