Chrysospermin D (CHEBI:200805)

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CHEBI:200805 - Chrysospermin D

ChEBI ID	CHEBI:200805
ChEBI Name	Chrysospermin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C92H144N22O23
Net Charge	0
Average Mass	1926.295
Monoisotopic Mass	1925.07747
SMILES	CCC(C)(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1cnc2ccccc12
InChI	InChI=1S/C92H144N22O23/c1-24-91(22,113-80(134)88(16,17)108-73(127)62(48-116)104-76(130)84(8,9)107-72(126)61(99-52(7)117)43-53-32-27-26-28-33-53)81(135)103-60(42-49(3)4)71(125)101-58(37-39-64(93)118)69(123)96-46-66(120)105-87(14,15)78(132)110-85(10,11)75(129)98-50(5)67(121)97-51(6)68(122)106-90(20,21)83(137)114-41-31-36-63(114)74(128)109-92(23,25-2)82(136)112-89(18,19)79(133)111-86(12,13)77(131)102-59(38-40-65(94)119)70(124)100-55(47-115)44-54-45-95-57-35-30-29-34-56(54)57/h26-30,32-35,45,49-51,55,58-63,95,115-116H,24-25,31,36-44,46-48H2,1-23H3,(H2,93,118)(H2,94,119)(H,96,123)(H,97,121)(H,98,129)(H,99,117)(H,100,124)(H,101,125)(H,102,131)(H,103,135)(H,104,130)(H,105,120)(H,106,122)(H,107,126)(H,108,127)(H,109,128)(H,110,132)(H,111,133)(H,112,136)(H,113,134)
InChIKey	YJJDNQCDOHQFFZ-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 D (CHEBI:200805) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylbutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-N-[2-[1-[1-[1-[1-[1-[2-[N-[1-[1-[1-[1,5-dihydroxy-1-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-2-hydroxyethyl]pentanediimidic acid

IUPAC Name

2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylbutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-N-[2-[1-[1-[1-[1-[1-[2-[N-[1-[1-[1-[1,5-dihydroxy-1-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-2-hydroxyethyl]pentanediimidic acid

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