Linearmycin B (CHEBI:202416)

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CHEBI:202416 - Linearmycin B

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ChEBI ID	CHEBI:202416
ChEBI Name	Linearmycin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C66H103NO16
Net Charge	0
Average Mass	1166.541
Monoisotopic Mass	1165.72769
SMILES	C/C(=C\C=C\C=C\C=C\C=C\CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)/C=C/CC(O)CC(O)CCCN)C(=O)O
InChI	InChI=1S/C66H103NO16/c1-48(29-21-17-13-9-6-5-7-10-14-18-22-30-49(2)66(82)83)65(81)51(4)63(79)39-24-20-16-12-8-11-15-19-23-38-62(78)50(3)64(80)47-61(77)46-60(76)44-56(72)36-27-35-55(71)43-59(75)45-58(74)42-54(70)34-26-32-52(68)31-25-33-53(69)41-57(73)37-28-40-67/h5-12,14-16,18-27,29-31,34,36,39,48,50-63,65,68-79,81H,13,17,28,32-33,35,37-38,40-47,67H2,1-4H3,(H,82,83)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,29-21+,31-25+,34-26+,36-27+,39-24+,49-30+
InChIKey	DHFLEVLIHWJIAE-OTPULODUSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1039/p19960002315)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Linearmycin B (CHEBI:202416) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
(2E,4E,6E,8E,10E,14E,20E,22E,24E,26E,28E,40E,50E,54E)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid

Manual Xrefs	Databases
8504374	ChemSpider