Trichormamide D (CHEBI:200222)

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CHEBI:200222 - Trichormamide D

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ChEBI ID	CHEBI:200222
ChEBI Name	Trichormamide D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C64H96N12O14
Net Charge	0
Average Mass	1257.542
Monoisotopic Mass	1256.71690
SMILES	C/C=C1/NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCCCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O
InChI	InChI=1S/C64H96N12O14/c1-9-11-12-13-17-21-42-34-53(80)68-45(27-28-52(65)79)57(83)69-44(10-2)64(90)76-29-18-22-51(76)62(88)74-50(36-77)61(87)72-48(33-41-23-25-43(78)26-24-41)58(84)71-47(31-38(5)6)60(86)75-55(39(7)8)63(89)73-49(32-40-19-15-14-16-20-40)59(85)70-46(30-37(3)4)56(82)66-35-54(81)67-42/h10,14-16,19-20,23-26,37-39,42,45-51,55,77-78H,9,11-13,17-18,21-22,27-36H2,1-8H3,(H2,65,79)(H,66,82)(H,67,81)(H,68,80)(H,69,83)(H,70,85)(H,71,84)(H,72,87)(H,73,89)(H,74,88)(H,75,86)/b44-10+/t42-,45+,46+,47-,48-,49-,50+,51+,55+/m1/s1
InChIKey	IGQWXWBFBZQMSX-GVHVATKXSA-N

Species of Metabolite	Component	Source	Comments
Oscillatoriaspecies UIC 10045 (ncbitaxon:1386951)	-	PubMed (26001342)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Trichormamide D (CHEBI:200222) is a polypeptide (CHEBI:15841)

IUPAC Name
3-[(3E,6S,10R,16S,19R,22S,25R,28R,31S,34S)-19-benzyl-3-ethylidene-10-heptyl-31-(hydroxymethyl)-28-[(4-hydroxyphenyl)methyl]-16,25-bis(2-methylpropyl)-2,5,8,12,15,18,21,24,27,30,33-undecaoxo-22-propan-2-yl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontan-6-yl]propanamide

Manual Xrefs	Databases
59001481	ChemSpider