A-1437-B (CHEBI:199575)

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CHEBI:199575 - A-1437-B

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ChEBI ID	CHEBI:199575
ChEBI Name	A-1437-B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C59H93N13O20
Net Charge	0
Average Mass	1304.464
Monoisotopic Mass	1303.66598
SMILES	CC(C)CCCCCCC/C=C/CC(=O)NC(CC(=O)O)C(=O)NC1C(=O)N2CCCCC2C(=O)NC(C(C)C(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)N)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC1C
InChI	InChI=1S/C59H93N13O20/c1-30(2)19-14-12-10-8-9-11-13-15-22-40(73)64-37(27-45(80)81)52(84)70-49-34(7)63-53(85)39-21-18-24-72(39)57(89)46(31(3)4)68-56(88)48(33(6)60)67-42(75)29-62-50(82)35(25-43(76)77)65-41(74)28-61-51(83)36(26-44(78)79)66-55(87)47(32(5)59(91)92)69-54(86)38-20-16-17-23-71(38)58(49)90/h13,15,30-39,46-49H,8-12,14,16-29,60H2,1-7H3,(H,61,83)(H,62,82)(H,63,85)(H,64,73)(H,65,74)(H,66,87)(H,67,75)(H,68,88)(H,69,86)(H,70,84)(H,76,77)(H,78,79)(H,80,81)(H,91,92)/b15-13+
InChIKey	BYWOWQCRVFUOLF-FYWRMAATSA-N

Species of Metabolite	Component	Source	Comments
Actinoplanes friuliensis (ncbitaxon:196914)	-	PubMed (11079804)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	A-1437-B (CHEBI:199575) is a oligopeptide (CHEBI:25676)

IUPAC Name
4-[[16-(1-aminoethyl)-31-(1-carboxyethyl)-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(E)-12-methyltridec-3-enoyl]amino]-4-oxobutanoic acid

Manual Xrefs	Databases
57261125	ChemSpider