Chrysospermin A (CHEBI:199532)

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CHEBI:199532 - Chrysospermin A

ChEBI ID	CHEBI:199532
ChEBI Name	Chrysospermin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C90H140N22O23
Net Charge	0
Average Mass	1898.241
Monoisotopic Mass	1897.04617
SMILES	CC(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C(=O)NC(CO)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1cnc2ccccc12
InChI	InChI=1S/C90H140N22O23/c1-47(2)40-58(101-76(130)85(12,13)109-78(132)87(16,17)106-71(125)60(46-114)102-74(128)82(6,7)105-70(124)59(97-50(5)115)41-51-30-25-24-26-31-51)69(123)99-56(35-37-62(91)116)67(121)94-44-64(118)103-86(14,15)77(131)108-83(8,9)73(127)96-48(3)65(119)95-49(4)66(120)104-90(22,23)81(135)112-39-29-34-61(112)72(126)107-88(18,19)79(133)111-89(20,21)80(134)110-84(10,11)75(129)100-57(36-38-63(92)117)68(122)98-53(45-113)42-52-43-93-55-33-28-27-32-54(52)55/h24-28,30-33,43,47-49,53,56-61,93,113-114H,29,34-42,44-46H2,1-23H3,(H2,91,116)(H2,92,117)(H,94,121)(H,95,119)(H,96,127)(H,97,115)(H,98,122)(H,99,123)(H,100,129)(H,101,130)(H,102,128)(H,103,118)(H,104,120)(H,105,124)(H,106,125)(H,107,126)(H,108,131)(H,109,132)(H,110,134)(H,111,133)
InChIKey	GIZISGRBTRFGIJ-UHFFFAOYSA-N

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Chrysospermin A (CHEBI:199532) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[1-[[1-[[1-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide

IUPAC Name

2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[1-[[1-[[1-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide

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