himastatin

CHEBI:190009 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A dimeric cyclohexadepsipeptide with formula C72H104N14O20. It is an antibiotic isolated from Streptomyces hygroscopicus and exhibits antitumor and antibacterial activity. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:25903 CHEBI:25903
CHEBI:35213 CHEBI:35213
CHEBI:51026 CHEBI:51026

Chemical structure

Computed structure properties
Molecular formula	C72H104N14O20
Charge	0
Average mass	1485.702 Da
Monoisotopic mass	1484.75513 Da
Source	ChEBI
InChIKey	OZPNLJQULOIOGU-UPABGHPRSA-N

SMILES

[H][C@@]12Nc3ccc(-c4ccc5c(c4)[C@]4(O)C[C@H]6C(=O)N[C@H](C(C)C)C(=O)O[C@@H](C(C)C)C(=O)N7NC[C@H](O)C[C@@H]7C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N6[C@]4([H])N5)cc3[C@]1(O)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)O[C@@H](C(C)C)C(=O)N3NC[C@H](O)C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N12

InChI

InChI=1S/C72H104N14O20/c1-29(2)19-45-57(91)81-53(35(13)87)63(97)83-49(61(95)79-51(31(5)6)67(101)105-55(33(9)10)65(99)85-47(59(93)75-45)23-39(89)27-73-85)25-71(103)41-21-37(15-17-43(41)77-69(71)83)38-16-18-44-42(22-38)72(104)26-50-62(96)80-52(32(7)8)68(102)106-56(34(11)12)66(100)86-48(24-40(90)28-74-86)60(94)76-46(20-30(3)4)58(92)82-54(36(14)88)64(98)84(50)70(72)78-44/h15-18,21-22,29-36,39-40,45-56,69-70,73-74,77-78,87-90,103-104H,19-20,23-28H2,1-14H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t35-,36-,39+,40+,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,55-,56-,69-,70-,71+,72+/m0/s1

Also called

(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-bis(2-methylpropyl)-21,21',24,24'-tetra(propan-2-yl)-2,2',3,3',4,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-[16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indole]-5,5',8,8',11,11',19,19',22,22',25,25'(1H,1'H,24H,24'H)-dodecone (EXACT_SYNONYM)— chebi
BMY 40800 (EXACT_SYNONYM)— chebi
BMY-40800 (EXACT_SYNONYM)— chebi
BMY40800 (EXACT_SYNONYM)— chebi
antibiotic BMY 40800 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:126775-74-4
chemspider:8031048
knapsack:C00028345
patent:EP0329109
patent:US5036010

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33281 CHEBI:33281
CHEBI:33282 CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:190009`	himastatin	`antibioticmech:chebi-1bf7da587c`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.