Laxaphycin E (CHEBI:207860)

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CHEBI:207860 - Laxaphycin E

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ChEBI ID	CHEBI:207860
ChEBI Name	Laxaphycin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C62H101N11O14
Net Charge	0
Average Mass	1224.553
Monoisotopic Mass	1223.75295
SMILES	C/C=C1/NC(=O)[C@H](CCO)NC(=O)CC(CCCCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)CC)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChI	InChI=1S/C62H101N11O14/c1-11-15-16-17-21-24-41-32-50(77)65-44(25-27-74)55(80)66-43(14-4)62(87)73-35-42(76)33-49(73)59(84)67-45(26-28-75)56(81)69-48(31-40-22-19-18-20-23-40)57(82)68-47(30-37(7)8)58(83)71-53(39(10)13-3)61(86)72-52(38(9)12-2)60(85)70-46(29-36(5)6)54(79)63-34-51(78)64-41/h14,18-20,22-23,36-39,41-42,44-49,52-53,74-76H,11-13,15-17,21,24-35H2,1-10H3,(H,63,79)(H,64,78)(H,65,77)(H,66,80)(H,67,84)(H,68,82)(H,69,81)(H,70,85)(H,71,83)(H,72,86)/b43-14+/t38?,39?,41?,42-,44+,45+,46+,47-,48-,49+,52-,53+/m1/s1
InChIKey	WNBDJWWVEUXKFZ-TZOHMCKFSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Laxaphycin E (CHEBI:207860) is a peptide (CHEBI:16670)

IUPAC Name
(3E,6S,16S,19R,22S,25R,28R,31S,34S,36R)-28-benzyl-19,22-di(butan-2-yl)-3-ethylidene-10-heptyl-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone

Manual Xrefs	Databases
78445412	ChemSpider